Bionet1_000946
TL;DR: Bionet1_000946 (CAS 338422-19-8) is a chemical compound with molecular formula C13H15ClN4O2S2 and molecular weight 358.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[(5-methylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
Also Known As: Bionet1_000946, N-{[4-allyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-chlorobenzenesulfonamide, 4H-501S, 4-chloro-N-[(5-methylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide, 4-chloro-N-{[5-(methylsulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzene-1-sulfonamide
| Molecular Formula | C13H15ClN4O2S2 |
|---|---|
| Molecular Weight | 358.03 g/mol |
| LogP | 2.3179 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 358.0325 |
| Heavy Atoms | 22 |
| Complexity | 756.84735 |
Chemical Identifiers
| CAS Number | 338422-19-8 |
|---|---|
| SMILES | CSC1=NN=C(N1CC=C)CNS(=O)(=O)C2=CC=C(C=C2)Cl |
Product Overview
Bionet1_000946 (CAS 338422-19-8), with molecular formula C13H15ClN4O2S2 and molecular weight 358.03 g/mol. IUPAC: 4-chloro-N-[(5-methylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide.
Chemical Property Profile of Bionet1_000946
Property Insights of Bionet1_000946
The XLogP value of 2.3179 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_000946. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_000946. Following Lipinski's Rule of Five, Bionet1_000946 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 Bionet1_000946?
The CAS number of Bionet1_000946 is 338422-19-8.
What is the molecular formula of Bionet1_000946?
The molecular formula of Bionet1_000946 is C13H15ClN4O2S2.
What is the molecular weight of Bionet1_000946?
The molecular weight of Bionet1_000946 is 358.03 g/mol.
Where can I buy Bionet1_000946?
You can request a quote for Bionet1_000946 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000946?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000946 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.