A3067/0129635
TL;DR: A3067/0129635 (CAS 380476-40-4) is a chemical compound with molecular formula C25H19ClN2O4 and molecular weight 446.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-3-[3-[(4-chlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoate
Also Known As: A3067/0129635, methyl 2-[[(E)-3-[3-[(4-chlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoate, methyl 2-{[(2E)-3-{3-[(4-chlorobenzyl)oxy]phenyl}-2-cyanoprop-2-enoyl]amino}benzoate, methyl 2-(3-{3-[(4-chlorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoate
| Molecular Formula | C25H19ClN2O4 |
|---|---|
| Molecular Weight | 446.10 g/mol |
| LogP | 5.25128 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.10333 |
| Heavy Atoms | 32 |
| Complexity | 1197.0638 |
Chemical Identifiers
| CAS Number | 380476-40-4 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)/C(=C/C2=CC(=CC=C2)OCC3=CC=C(C=C3)Cl)/C#N |
Product Overview
A3067/0129635 (CAS 380476-40-4), with molecular formula C25H19ClN2O4 and molecular weight 446.10 g/mol. IUPAC: methyl 2-[[(E)-3-[3-[(4-chlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoate.
Chemical Property Profile of A3067/0129635
Property Insights of A3067/0129635
The XLogP value of 5.25128 indicates that A3067/0129635 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.42 Ų falls within the moderate polarity range, balancing permeability and solubility for A3067/0129635. Following Lipinski's Rule of Five, A3067/0129635 has 1 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 A3067/0129635?
The CAS number of A3067/0129635 is 380476-40-4.
What is the molecular formula of A3067/0129635?
The molecular formula of A3067/0129635 is C25H19ClN2O4.
What is the molecular weight of A3067/0129635?
The molecular weight of A3067/0129635 is 446.10 g/mol.
Where can I buy A3067/0129635?
You can request a quote for A3067/0129635 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3067/0129635?
Yes, KEHONG BIO provides custom synthesis services for A3067/0129635 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.