BAS 10796456
TL;DR: BAS 10796456 (CAS 838814-11-2) is a chemical compound with molecular formula C20H19N3O4S and molecular weight 397.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-cyano-3-methyl-5-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate
Also Known As: BAS 10796456, AP-853/43332231, ethyl 4-cyano-3-methyl-5-{[(5-oxo-1-phenylpyrrolidin-3-yl)carbonyl]amino}thiophene-2-carboxylate, ethyl 4-cyano-3-methyl-5-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate, ethyl 4-cyano-3-methyl-5-(5-oxo-1-phenylpyrrolidine-3-carboxamido)thiophene-2-carboxylate
| Molecular Formula | C20H19N3O4S |
|---|---|
| Molecular Weight | 397.11 g/mol |
| LogP | 3.0965 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.10962 |
| Heavy Atoms | 28 |
| Complexity | 961.8207 |
Chemical Identifiers
| CAS Number | 838814-11-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)NC(=O)C2CC(=O)N(C2)C3=CC=CC=C3)C#N)C |
Product Overview
BAS 10796456 (CAS 838814-11-2), with molecular formula C20H19N3O4S and molecular weight 397.11 g/mol. IUPAC: ethyl 4-cyano-3-methyl-5-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate.
Chemical Property Profile of BAS 10796456
Property Insights of BAS 10796456
The XLogP value of 3.0965 indicates that BAS 10796456 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 10796456. Following Lipinski's Rule of Five, BAS 10796456 has 1 hydrogen bond donor(s) and 6 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 BAS 10796456?
The CAS number of BAS 10796456 is 838814-11-2.
What is the molecular formula of BAS 10796456?
The molecular formula of BAS 10796456 is C20H19N3O4S.
What is the molecular weight of BAS 10796456?
The molecular weight of BAS 10796456 is 397.11 g/mol.
Where can I buy BAS 10796456?
You can request a quote for BAS 10796456 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10796456?
Yes, KEHONG BIO provides custom synthesis services for BAS 10796456 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.