A3066/0129563
TL;DR: A3066/0129563 (CAS 380563-75-7) is a chemical compound with molecular formula C25H19FN2O4 and molecular weight 430.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzoate
Also Known As: A3066/0129563, [4-[(E)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzoate, 4-{2-cyano-2-[(2-fluorophenyl)carbamoyl]eth-1-en-1-yl}-2-methoxyphenyl 4-methylbenzoate, 4-[(E)-2-CYANO-3-(2-FLUOROANILINO)-3-OXO-1-PROPENYL]-2-METHOXYPHENYL 4-METHYLBENZOATE, 4-{(1E)-2-cyano-3-[(2-fluorophenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenyl 4-methylbenzoate
| Molecular Formula | C25H19FN2O4 |
|---|---|
| Molecular Weight | 430.13 g/mol |
| LogP | 4.9076 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.13287 |
| Heavy Atoms | 32 |
| Complexity | 1227.4344 |
Chemical Identifiers
| CAS Number | 380563-75-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC=CC=C3F)OC |
Product Overview
A3066/0129563 (CAS 380563-75-7), with molecular formula C25H19FN2O4 and molecular weight 430.13 g/mol. IUPAC: [4-[(E)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzoate.
Chemical Property Profile of A3066/0129563
Property Insights of A3066/0129563
The XLogP value of 4.9076 indicates that A3066/0129563 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 A3066/0129563. Following Lipinski's Rule of Five, A3066/0129563 has 1 hydrogen bond donor(s) and 5 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 A3066/0129563?
The CAS number of A3066/0129563 is 380563-75-7.
What is the molecular formula of A3066/0129563?
The molecular formula of A3066/0129563 is C25H19FN2O4.
What is the molecular weight of A3066/0129563?
The molecular weight of A3066/0129563 is 430.13 g/mol.
Where can I buy A3066/0129563?
You can request a quote for A3066/0129563 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3066/0129563?
Yes, KEHONG BIO provides custom synthesis services for A3066/0129563 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.