A3063/0129413
TL;DR: A3063/0129413 (CAS 380477-58-7) is a chemical compound with molecular formula C29H20Cl2N2O4 and molecular weight 530.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] naphthalene-1-carboxylate
Also Known As: A3063/0129413, [4-[(E)-2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] naphthalene-1-carboxylate, 4-{(1E)-2-cyano-3-[(3,5-dichlorophenyl)amino]-3-oxoprop-1-en-1-yl}-2-ethoxyphenyl naphthalene-1-carboxylate, 4-[(E)-2-CYANO-3-(3,5-DICHLOROANILINO)-3-OXO-1-PROPENYL]-2-ETHOXYPHENYL 1-NAPHTHOATE, 4-{2-cyano-2-[(3,5-dichlorophenyl)carbamoyl]eth-1-en-1-yl}-2-ethoxyphenyl naphthalene-1-carboxylate
| Molecular Formula | C29H20Cl2N2O4 |
|---|---|
| Molecular Weight | 530.08 g/mol |
| LogP | 7.31018 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 530.08 |
| Heavy Atoms | 37 |
| Complexity | 1548.7238 |
Chemical Identifiers
| CAS Number | 380477-58-7 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC(=CC(=C2)Cl)Cl)OC(=O)C3=CC=CC4=CC=CC=C43 |
Product Overview
A3063/0129413 (CAS 380477-58-7), with molecular formula C29H20Cl2N2O4 and molecular weight 530.08 g/mol. IUPAC: [4-[(E)-2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] naphthalene-1-carboxylate.
Chemical Property Profile of A3063/0129413
Property Insights of A3063/0129413
The XLogP value of 7.31018 indicates that A3063/0129413 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 A3063/0129413. Following Lipinski's Rule of Five, A3063/0129413 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 A3063/0129413?
The CAS number of A3063/0129413 is 380477-58-7.
What is the molecular formula of A3063/0129413?
The molecular formula of A3063/0129413 is C29H20Cl2N2O4.
What is the molecular weight of A3063/0129413?
The molecular weight of A3063/0129413 is 530.08 g/mol.
Where can I buy A3063/0129413?
You can request a quote for A3063/0129413 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3063/0129413?
Yes, KEHONG BIO provides custom synthesis services for A3063/0129413 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.