A3067/0129649
TL;DR: A3067/0129649 (CAS 380477-03-2) is a chemical compound with molecular formula C27H23FN2O5 and molecular weight 474.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-2-cyano-3-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoate
Also Known As: A3067/0129649, methyl 2-[[(E)-2-cyano-3-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoate, methyl 2-{[(2E)-2-cyano-3-{3-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}prop-2-enoyl]amino}benzoate, methyl 2-(2-cyano-3-{3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl}prop-2-enamido)benzoate, METHYL 2-[((E)-2-CYANO-3-{3-ETHOXY-4-[(4-FLUOROBENZYL)OXY]PHENYL}-2-PROPENOYL)AMINO]BENZOATE
| Molecular Formula | C27H23FN2O5 |
|---|---|
| Molecular Weight | 474.16 g/mol |
| LogP | 5.13568 |
| Topological Polar Surface Area | 97.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 474.1591 |
| Heavy Atoms | 35 |
| Complexity | 1279.4742 |
Chemical Identifiers
| CAS Number | 380477-03-2 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2C(=O)OC)OCC3=CC=C(C=C3)F |
Product Overview
A3067/0129649 (CAS 380477-03-2), with molecular formula C27H23FN2O5 and molecular weight 474.16 g/mol. IUPAC: methyl 2-[[(E)-2-cyano-3-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoate.
Chemical Property Profile of A3067/0129649
Property Insights of A3067/0129649
The XLogP value of 5.13568 indicates that A3067/0129649 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.65 Ų falls within the moderate polarity range, balancing permeability and solubility for A3067/0129649. Following Lipinski's Rule of Five, A3067/0129649 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3067/0129649?
The CAS number of A3067/0129649 is 380477-03-2.
What is the molecular formula of A3067/0129649?
The molecular formula of A3067/0129649 is C27H23FN2O5.
What is the molecular weight of A3067/0129649?
The molecular weight of A3067/0129649 is 474.16 g/mol.
Where can I buy A3067/0129649?
You can request a quote for A3067/0129649 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3067/0129649?
Yes, KEHONG BIO provides custom synthesis services for A3067/0129649 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.