F0016-0594
TL;DR: F0016-0594 (CAS 313662-53-2) is a chemical compound with molecular formula C19H18N2O3S and molecular weight 354.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-cyanobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: F0016-0594, AE-641/40789763, ETHYL 2-(4-CYANOBENZAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, ethyl 2-[(4-cyanobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(4-cyanobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C19H18N2O3S |
|---|---|
| Molecular Weight | 354.10 g/mol |
| LogP | 3.92758 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.10382 |
| Heavy Atoms | 25 |
| Complexity | 846.78955 |
Chemical Identifiers
| CAS Number | 313662-53-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)C#N |
Product Overview
F0016-0594 (CAS 313662-53-2), with molecular formula C19H18N2O3S and molecular weight 354.10 g/mol. IUPAC: ethyl 2-[(4-cyanobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of F0016-0594
Property Insights of F0016-0594
The XLogP value of 3.92758 indicates that F0016-0594 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 F0016-0594. Following Lipinski's Rule of Five, F0016-0594 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 F0016-0594?
The CAS number of F0016-0594 is 313662-53-2.
What is the molecular formula of F0016-0594?
The molecular formula of F0016-0594 is C19H18N2O3S.
What is the molecular weight of F0016-0594?
The molecular weight of F0016-0594 is 354.10 g/mol.
Where can I buy F0016-0594?
You can request a quote for F0016-0594 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0016-0594?
Yes, KEHONG BIO provides custom synthesis services for F0016-0594 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.