Name: Name:propanoic acid, 2-(4-((6-chloro-2-quinoxalinyl)oxy)phenoxy)-, methyl ester
Brand: Angene
SKU: AG005B21
Rating: 90 (10 reviews)

propanoic acid, 2-(4-((6-chloro-2-quinoxalinyl)oxy)phenoxy)-, methyl ester

CAS No.:

76578-13-7

Catalog Number:

AG005B21

Molecular Formula:

C18H15ClN2O4

Molecular Weight:

358.7757

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Product Description

Catalog Number:

AG005B21

Chemical Name:

propanoic acid, 2-(4-((6-chloro-2-quinoxalinyl)oxy)phenoxy)-, methyl ester

CAS Number:

76578-13-7

Molecular Formula:

C18H15ClN2O4

Molecular Weight:

358.7757

MDL Number:

MFCD00155372

IUPAC Name:

methyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate

InChI:

InChI=1S/C18H15ClN2O4/c1-11(18(22)23-2)24-13-4-6-14(7-5-13)25-17-10-20-16-9-12(19)3-8-15(16)21-17/h3-11H,1-2H3

InChI Key:

YGHJGQYNECSZDY-UHFFFAOYSA-N

SMILES:

COC(=O)C(Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C

Properties

Complexity:

445

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

358.072g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

358.778g/mol

Monoisotopic Mass:

358.072g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9

Literature

Title	Journal
Design, synthesis, and biological evaluation of analogues of the antitumor agent, 2-(4-[(7-chloro-2-quinoxalinyl)oxy]phenoxy)propionic acid (XK469).	Journal of medicinal chemistry 20010524