4H-511S
TL;DR: 4H-511S (CAS 338422-32-5) is a chemical compound with molecular formula C15H15ClN4O2S2 and molecular weight 382.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[(4-prop-2-enyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
Also Known As: 4H-511S, 4-chloro-N-[(4-prop-2-enyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide, N-{[4-allyl-5-(2-propynylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-chlorobenzenesulfonamide, 4-chloro-N-{[4-(prop-2-en-1-yl)-5-(prop-2-yn-1-ylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzene-1-sulfonamide
| Molecular Formula | C15H15ClN4O2S2 |
|---|---|
| Molecular Weight | 382.03 g/mol |
| LogP | 2.3213 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 382.0325 |
| Heavy Atoms | 24 |
| Complexity | 854.5895 |
Chemical Identifiers
| CAS Number | 338422-32-5 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC#C)CNS(=O)(=O)C2=CC=C(C=C2)Cl |
Product Overview
4H-511S (CAS 338422-32-5), with molecular formula C15H15ClN4O2S2 and molecular weight 382.03 g/mol. IUPAC: 4-chloro-N-[(4-prop-2-enyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide.
Chemical Property Profile of 4H-511S
Property Insights of 4H-511S
The XLogP value of 2.3213 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-511S. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-511S. Following Lipinski's Rule of Five, 4H-511S 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 4H-511S?
The CAS number of 4H-511S is 338422-32-5.
What is the molecular formula of 4H-511S?
The molecular formula of 4H-511S is C15H15ClN4O2S2.
What is the molecular weight of 4H-511S?
The molecular weight of 4H-511S is 382.03 g/mol.
Where can I buy 4H-511S?
You can request a quote for 4H-511S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-511S?
Yes, KEHONG BIO provides custom synthesis services for 4H-511S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.