A3066/0129567
TL;DR: A3066/0129567 (CAS 380568-91-2) is a chemical compound with molecular formula C27H17FN2O3 and molecular weight 436.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(E)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]phenyl] naphthalene-1-carboxylate
Also Known As: A3066/0129567, [3-[(E)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]phenyl] naphthalene-1-carboxylate, 3-{(1E)-2-cyano-3-[(2-fluorophenyl)amino]-3-oxoprop-1-en-1-yl}phenyl naphthalene-1-carboxylate, 3-[(E)-2-CYANO-3-(2-FLUOROANILINO)-3-OXO-1-PROPENYL]PHENYL 1-NAPHTHOATE, 3-{2-cyano-2-[(2-fluorophenyl)carbamoyl]eth-1-en-1-yl}phenyl naphthalene-1-carboxylate
| Molecular Formula | C27H17FN2O3 |
|---|---|
| Molecular Weight | 436.12 g/mol |
| LogP | 5.74378 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 436.1223 |
| Heavy Atoms | 33 |
| Complexity | 1431.5134 |
Chemical Identifiers
| CAS Number | 380568-91-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2C(=O)OC3=CC=CC(=C3)/C=C(\C#N)/C(=O)NC4=CC=CC=C4F |
Product Overview
A3066/0129567 (CAS 380568-91-2), with molecular formula C27H17FN2O3 and molecular weight 436.12 g/mol. IUPAC: [3-[(E)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]phenyl] naphthalene-1-carboxylate.
Chemical Property Profile of A3066/0129567
Property Insights of A3066/0129567
The XLogP value of 5.74378 indicates that A3066/0129567 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for A3066/0129567. Following Lipinski's Rule of Five, A3066/0129567 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3066/0129567?
The CAS number of A3066/0129567 is 380568-91-2.
What is the molecular formula of A3066/0129567?
The molecular formula of A3066/0129567 is C27H17FN2O3.
What is the molecular weight of A3066/0129567?
The molecular weight of A3066/0129567 is 436.12 g/mol.
Where can I buy A3066/0129567?
You can request a quote for A3066/0129567 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3066/0129567?
Yes, KEHONG BIO provides custom synthesis services for A3066/0129567 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.