Name: Name:(S)-2-Ethoxy-3-(4-(2-(2-methyl-5-(4-(methylthio)phenyl)-1h-pyrrol-1-yl)ethoxy)phenyl)propanoic acid
Brand: Angene
SKU: AG00DDK8
Rating: 90 (10 reviews)

(S)-2-Ethoxy-3-(4-(2-(2-methyl-5-(4-(methylthio)phenyl)-1h-pyrrol-1-yl)ethoxy)phenyl)propanoic acid

CAS No.:

495399-09-2

Catalog Number:

AG00DDK8

Molecular Formula:

C25H29NO4S

Molecular Weight:

439.5671

Catalog Number:

AG00DDK8

Chemical Name:

(S)-2-Ethoxy-3-(4-(2-(2-methyl-5-(4-(methylthio)phenyl)-1h-pyrrol-1-yl)ethoxy)phenyl)propanoic acid

CAS Number:

495399-09-2

Molecular Formula:

C25H29NO4S

Molecular Weight:

439.5671

MDL Number:

MFCD28502034

IUPAC Name:

(2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid

InChI:

InChI=1S/C25H29NO4S/c1-4-29-24(25(27)28)17-19-6-10-21(11-7-19)30-16-15-26-18(2)5-14-23(26)20-8-12-22(31-3)13-9-20/h5-14,24H,4,15-17H2,1-3H3,(H,27,28)/t24-/m0/s1

InChI Key:

MRWFZSLZNUJVQW-DEOSSOPVSA-N

SMILES:

CCO[C@H](C(=O)O)Cc1ccc(cc1)OCCn1c(C)ccc1c1ccc(cc1)SC

UNII:

E0YMX3S4JD

Complexity:

532

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

439.182g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

439.57g/mol

Monoisotopic Mass:

439.182g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

86A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.9