Bionet1_000783
TL;DR: Bionet1_000783 (CAS 29388-97-4) is a chemical compound with molecular formula C13H11N3O4S3 and molecular weight 368.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyano-N-(4-methylphenyl)sulfonyl-5-methylsulfanyl-3-oxo-1,2-thiazole-2-carboxamide
Also Known As: Bionet1_000783, N-{[4-cyano-5-(methylsulfanyl)-3-oxo-2(3H)-isothiazolyl]carbonyl}-4-methylbenzenesulfonamide, 3E-940, 4-cyano-N-(4-methylbenzenesulfonyl)-5-(methylsulfanyl)-3-oxo-2,3-dihydro-1,2-thiazole-2-carboxamide, 4-cyano-N-(4-methylphenyl)sulfonyl-5-methylsulfanyl-3-oxo-1,2-thiazole-2-carboxamide
| Molecular Formula | C13H11N3O4S3 |
|---|---|
| Molecular Weight | 368.99 g/mol |
| LogP | 1.7584 |
| Topological Polar Surface Area | 109.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.99118 |
| Heavy Atoms | 23 |
| Complexity | 949.8315 |
Chemical Identifiers
| CAS Number | 29388-97-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2C(=O)C(=C(S2)SC)C#N |
Product Overview
Bionet1_000783 (CAS 29388-97-4), with molecular formula C13H11N3O4S3 and molecular weight 368.99 g/mol. IUPAC: 4-cyano-N-(4-methylphenyl)sulfonyl-5-methylsulfanyl-3-oxo-1,2-thiazole-2-carboxamide.
Chemical Property Profile of Bionet1_000783
Property Insights of Bionet1_000783
The XLogP value of 1.7584 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_000783. The TPSA of 109.03 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_000783. Following Lipinski's Rule of Five, Bionet1_000783 has 1 hydrogen bond donor(s) and 7 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 Bionet1_000783?
The CAS number of Bionet1_000783 is 29388-97-4.
What is the molecular formula of Bionet1_000783?
The molecular formula of Bionet1_000783 is C13H11N3O4S3.
What is the molecular weight of Bionet1_000783?
The molecular weight of Bionet1_000783 is 368.99 g/mol.
Where can I buy Bionet1_000783?
You can request a quote for Bionet1_000783 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000783?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000783 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.