Name: Name:1,2-Propanediol, 3-[4-[5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-, (2S)-
Brand: Angene
SKU: AG000SEW
Rating: 90 (10 reviews)

1,2-Propanediol, 3-[4-[5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-, (2S)-

CAS No.:

1262414-04-9

Catalog Number:

AG000SEW

Molecular Formula:

C25H31N3O5

Molecular Weight:

453.5307

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

2mg

98%

1 week

United States

$126

- +

5mg

98%

1 week

United States

$175

- +

10mg

98%

1 week

United States

$258

- +

25mg

98%

1 week

United States

$403

- +

50mg

98%

1 week

United States

$661

- +

100mg

98%

1 week

United States

$1083

- +

Product Description

Catalog Number:

AG000SEW

Chemical Name:

1,2-Propanediol, 3-[4-[5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-, (2S)-

CAS Number:

1262414-04-9

Molecular Formula:

C25H31N3O5

Molecular Weight:

453.5307

MDL Number:

MFCD30530772

IUPAC Name:

(2S)-3-[4-[5-(2-cyclopentyl-6-methoxypyridin-4-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]propane-1,2-diol

InChI:

InChI=1S/C25H31N3O5/c1-4-16-10-18(9-15(2)23(16)32-14-20(30)13-29)24-27-25(33-28-24)19-11-21(17-7-5-6-8-17)26-22(12-19)31-3/h9-12,17,20,29-30H,4-8,13-14H2,1-3H3/t20-/m0/s1

InChI Key:

KJKKMMMRWISKRF-FQEVSTJZSA-N

SMILES:

OC[C@@H](COc1c(C)cc(cc1CC)c1noc(n1)c1cc(OC)nc(c1)C1CCCC1)O

UNII:

Y333RS1786

Properties

Complexity:

592

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

453.226g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

453.539g/mol

Monoisotopic Mass:

453.226g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

111A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.2

Literature

Title	Journal
Cenerimod, a novel selective S1P(1) receptor modulator with unique signaling properties.	Pharmacology research & perspectives 20171201
Microbial spoilage of fresh refrigerated beef liver.	The Journal of applied bacteriology 19751201