A3067/0129652
TL;DR: A3067/0129652 (CAS 380477-12-3) is a chemical compound with molecular formula C26H20N2O6 and molecular weight 456.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-3-(3-benzoyloxy-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate
Also Known As: A3067/0129652, methyl 2-[[(E)-3-(3-benzoyloxy-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate, methyl 2-{[(2E)-2-cyano-3-{4-methoxy-3-[(phenylcarbonyl)oxy]phenyl}prop-2-enoyl]amino}benzoate, methyl 2-{3-[3-(benzoyloxy)-4-methoxyphenyl]-2-cyanoprop-2-enamido}benzoate
| Molecular Formula | C26H20N2O6 |
|---|---|
| Molecular Weight | 456.13 g/mol |
| LogP | 4.24668 |
| Topological Polar Surface Area | 114.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 456.13214 |
| Heavy Atoms | 34 |
| Complexity | 1292.1431 |
Chemical Identifiers
| CAS Number | 380477-12-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2C(=O)OC)OC(=O)C3=CC=CC=C3 |
Product Overview
A3067/0129652 (CAS 380477-12-3), with molecular formula C26H20N2O6 and molecular weight 456.13 g/mol. IUPAC: methyl 2-[[(E)-3-(3-benzoyloxy-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate.
Chemical Property Profile of A3067/0129652
Property Insights of A3067/0129652
The XLogP value of 4.24668 indicates that A3067/0129652 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.72 Ų falls within the moderate polarity range, balancing permeability and solubility for A3067/0129652. Following Lipinski's Rule of Five, A3067/0129652 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3067/0129652?
The CAS number of A3067/0129652 is 380477-12-3.
What is the molecular formula of A3067/0129652?
The molecular formula of A3067/0129652 is C26H20N2O6.
What is the molecular weight of A3067/0129652?
The molecular weight of A3067/0129652 is 456.13 g/mol.
Where can I buy A3067/0129652?
You can request a quote for A3067/0129652 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3067/0129652?
Yes, KEHONG BIO provides custom synthesis services for A3067/0129652 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.