A3039/0128244
TL;DR: A3039/0128244 (CAS 380475-80-9) is a chemical compound with molecular formula C25H19ClN2O5 and molecular weight 462.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(E)-3-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid
Also Known As: A3039/0128244, 3-{[(2E)-3-{3-[(2-chlorobenzyl)oxy]-4-methoxyphenyl}-2-cyanoprop-2-enoyl]amino}benzoic acid, 3-[[(E)-3-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid, 3-(3-{3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl}-2-cyanoprop-2-enamido)benzoic acid, 3-[((E)-3-{3-[(2-CHLOROBENZYL)OXY]-4-METHOXYPHENYL}-2-CYANO-2-PROPENOYL)AMINO]BENZOIC ACID
| Molecular Formula | C25H19ClN2O5 |
|---|---|
| Molecular Weight | 462.10 g/mol |
| LogP | 5.17148 |
| Topological Polar Surface Area | 108.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 462.09824 |
| Heavy Atoms | 33 |
| Complexity | 1263.6472 |
Chemical Identifiers
| CAS Number | 380475-80-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=CC(=C2)C(=O)O)OCC3=CC=CC=C3Cl |
Product Overview
A3039/0128244 (CAS 380475-80-9), with molecular formula C25H19ClN2O5 and molecular weight 462.10 g/mol. IUPAC: 3-[[(E)-3-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid.
Chemical Property Profile of A3039/0128244
Property Insights of A3039/0128244
The XLogP value of 5.17148 indicates that A3039/0128244 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.65 Ų falls within the moderate polarity range, balancing permeability and solubility for A3039/0128244. Following Lipinski's Rule of Five, A3039/0128244 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3039/0128244?
The CAS number of A3039/0128244 is 380475-80-9.
What is the molecular formula of A3039/0128244?
The molecular formula of A3039/0128244 is C25H19ClN2O5.
What is the molecular weight of A3039/0128244?
The molecular weight of A3039/0128244 is 462.10 g/mol.
Where can I buy A3039/0128244?
You can request a quote for A3039/0128244 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3039/0128244?
Yes, KEHONG BIO provides custom synthesis services for A3039/0128244 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.