A3039/0128237
TL;DR: A3039/0128237 (CAS 380476-80-2) is a chemical compound with molecular formula C24H17ClN2O4 and molecular weight 432.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(E)-3-[3-[(4-chlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid
Also Known As: A3039/0128237, 3-[[(E)-3-[3-[(4-chlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid, 3-{[(2E)-3-{3-[(4-chlorobenzyl)oxy]phenyl}-2-cyanoprop-2-enoyl]amino}benzoic acid, 3-(3-{3-[(4-chlorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoic acid, 3-[((E)-3-{3-[(4-CHLOROBENZYL)OXY]PHENYL}-2-CYANO-2-PROPENOYL)AMINO]BENZOIC ACID
| Molecular Formula | C24H17ClN2O4 |
|---|---|
| Molecular Weight | 432.09 g/mol |
| LogP | 5.16288 |
| Topological Polar Surface Area | 99.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 432.08768 |
| Heavy Atoms | 31 |
| Complexity | 1180.6837 |
Chemical Identifiers
| CAS Number | 380476-80-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OCC2=CC=C(C=C2)Cl)/C=C(\C#N)/C(=O)NC3=CC=CC(=C3)C(=O)O |
Product Overview
A3039/0128237 (CAS 380476-80-2), with molecular formula C24H17ClN2O4 and molecular weight 432.09 g/mol. IUPAC: 3-[[(E)-3-[3-[(4-chlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid.
Chemical Property Profile of A3039/0128237
Property Insights of A3039/0128237
The XLogP value of 5.16288 indicates that A3039/0128237 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.42 Ų falls within the moderate polarity range, balancing permeability and solubility for A3039/0128237. Following Lipinski's Rule of Five, A3039/0128237 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3039/0128237?
The CAS number of A3039/0128237 is 380476-80-2.
What is the molecular formula of A3039/0128237?
The molecular formula of A3039/0128237 is C24H17ClN2O4.
What is the molecular weight of A3039/0128237?
The molecular weight of A3039/0128237 is 432.09 g/mol.
Where can I buy A3039/0128237?
You can request a quote for A3039/0128237 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3039/0128237?
Yes, KEHONG BIO provides custom synthesis services for A3039/0128237 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.