A3063/0129430
TL;DR: A3063/0129430 (CAS 380477-48-5) is a chemical compound with molecular formula C27H24N2O5 and molecular weight 456.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methoxybenzoate
Also Known As: A3063/0129430, [4-[(E)-2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methoxybenzoate, 4-{(1E)-2-cyano-3-[(2-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2-ethoxyphenyl 4-methoxybenzoate, 4-[(E)-2-CYANO-3-OXO-3-(2-TOLUIDINO)-1-PROPENYL]-2-ETHOXYPHENYL 4-METHOXYBENZOATE, 4-{2-cyano-2-[(2-methylphenyl)carbamoyl]eth-1-en-1-yl}-2-ethoxyphenyl 4-methoxybenzoate
| Molecular Formula | C27H24N2O5 |
|---|---|
| Molecular Weight | 456.17 g/mol |
| LogP | 5.1672 |
| Topological Polar Surface Area | 97.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 456.16852 |
| Heavy Atoms | 34 |
| Complexity | 1256.7572 |
Chemical Identifiers
| CAS Number | 380477-48-5 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2C)OC(=O)C3=CC=C(C=C3)OC |
Product Overview
A3063/0129430 (CAS 380477-48-5), with molecular formula C27H24N2O5 and molecular weight 456.17 g/mol. IUPAC: [4-[(E)-2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methoxybenzoate.
Chemical Property Profile of A3063/0129430
Property Insights of A3063/0129430
The XLogP value of 5.1672 indicates that A3063/0129430 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 A3063/0129430. Following Lipinski's Rule of Five, A3063/0129430 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 A3063/0129430?
The CAS number of A3063/0129430 is 380477-48-5.
What is the molecular formula of A3063/0129430?
The molecular formula of A3063/0129430 is C27H24N2O5.
What is the molecular weight of A3063/0129430?
The molecular weight of A3063/0129430 is 456.17 g/mol.
Where can I buy A3063/0129430?
You can request a quote for A3063/0129430 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3063/0129430?
Yes, KEHONG BIO provides custom synthesis services for A3063/0129430 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.