BAS 10796406
TL;DR: BAS 10796406 (CAS 832685-58-2) is a chemical compound with molecular formula C19H21N5O4S2 and molecular weight 447.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
Also Known As: BAS 10796406, AP-853/43332224, N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide, N-(5-{[2-(4-morpholinyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-5-oxo-1-phenyl-3-pyrrolidinecarboxamide, 5-Oxo-1-phenyl-pyrrolidine-3-carboxylic acid [5-(2-morpholin-4-yl-2-oxo-ethylsulfanyl)-[1,3,4]thiadiazol-2-yl]-amide
| Molecular Formula | C19H21N5O4S2 |
|---|---|
| Molecular Weight | 447.10 g/mol |
| LogP | 1.4806 |
| Topological Polar Surface Area | 104.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.1035 |
| Heavy Atoms | 30 |
| Complexity | 916.6584 |
Chemical Identifiers
| CAS Number | 832685-58-2 |
|---|---|
| SMILES | C1COCCN1C(=O)CSC2=NN=C(S2)NC(=O)C3CC(=O)N(C3)C4=CC=CC=C4 |
Product Overview
BAS 10796406 (CAS 832685-58-2), with molecular formula C19H21N5O4S2 and molecular weight 447.10 g/mol. IUPAC: N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
Chemical Property Profile of BAS 10796406
Property Insights of BAS 10796406
The XLogP value of 1.4806 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 10796406. The TPSA of 104.73 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 10796406. Following Lipinski's Rule of Five, BAS 10796406 has 1 hydrogen bond donor(s) and 8 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 10796406?
The CAS number of BAS 10796406 is 832685-58-2.
What is the molecular formula of BAS 10796406?
The molecular formula of BAS 10796406 is C19H21N5O4S2.
What is the molecular weight of BAS 10796406?
The molecular weight of BAS 10796406 is 447.10 g/mol.
Where can I buy BAS 10796406?
You can request a quote for BAS 10796406 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10796406?
Yes, KEHONG BIO provides custom synthesis services for BAS 10796406 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.