3-(4-Phenyl-4H-1,2,4-triazol-1-ium-1-yl)propane-1-sulfonate
TL;DR: 3-(4-Phenyl-4H-1,2,4-triazol-1-ium-1-yl)propane-1-sulfonate (CAS 1104729-30-7) is a chemical compound with molecular formula C11H13N3O3S and molecular weight 267.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-phenyl-1,2,4-triazol-4-ium-1-yl)propane-1-sulfonate
Also Known As: 3-(4-phenyl-1,2,4-triazol-4-ium-1-yl)propane-1-sulfonate, 3-(4-phenyl-4H-1,2,4-triazol-1-ium-1-yl)-1-propanesulfonate, 3-(4-Phenyl-4H-1,2,4-triazol-1-ium-1-yl)propane-1-sulfonate, 3-(4-phenyl-1,2-diaza-4-azoniacyclopenta-2,4-dien-1-yl)propane-1-sulfonate
| Molecular Formula | C11H13N3O3S |
|---|---|
| Molecular Weight | 267.07 g/mol |
| LogP | 0.0951 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 267.06775 |
| Heavy Atoms | 18 |
| Complexity | 607.4735 |
Chemical Identifiers
| CAS Number | 1104729-30-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)[N+]2=CN(N=C2)CCCS(=O)(=O)[O-] |
Product Overview
3-(4-Phenyl-4H-1,2,4-triazol-1-ium-1-yl)propane-1-sulfonate (CAS 1104729-30-7), with molecular formula C11H13N3O3S and molecular weight 267.07 g/mol. IUPAC: 3-(4-phenyl-1,2,4-triazol-4-ium-1-yl)propane-1-sulfonate.
Chemical Property Profile of 3-(4-Phenyl-4H-1,2,4-triazol-1-ium-1-yl)propane-1-sulfonate
Property Insights of 3-(4-Phenyl-4H-1,2,4-triazol-1-ium-1-yl)propane-1-sulfonate
The XLogP value of 0.0951 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Phenyl-4H-1,2,4-triazol-1-ium-1-yl)propane-1-sulfonate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Phenyl-4H-1,2,4-triazol-1-ium-1-yl)propane-1-sulfonate. Following Lipinski's Rule of Five, 3-(4-Phenyl-4H-1,2,4-triazol-1-ium-1-yl)propane-1-sulfonate has 0 hydrogen bond donor(s) and 4 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 3-(4-Phenyl-4H-1,2,4-triazol-1-ium-1-yl)propane-1-sulfonate?
The CAS number of 3-(4-Phenyl-4H-1,2,4-triazol-1-ium-1-yl)propane-1-sulfonate is 1104729-30-7.
What is the molecular formula of 3-(4-Phenyl-4H-1,2,4-triazol-1-ium-1-yl)propane-1-sulfonate?
The molecular formula of 3-(4-Phenyl-4H-1,2,4-triazol-1-ium-1-yl)propane-1-sulfonate is C11H13N3O3S.
What is the molecular weight of 3-(4-Phenyl-4H-1,2,4-triazol-1-ium-1-yl)propane-1-sulfonate?
The molecular weight of 3-(4-Phenyl-4H-1,2,4-triazol-1-ium-1-yl)propane-1-sulfonate is 267.07 g/mol.
Where can I buy 3-(4-Phenyl-4H-1,2,4-triazol-1-ium-1-yl)propane-1-sulfonate?
You can request a quote for 3-(4-Phenyl-4H-1,2,4-triazol-1-ium-1-yl)propane-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Phenyl-4H-1,2,4-triazol-1-ium-1-yl)propane-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Phenyl-4H-1,2,4-triazol-1-ium-1-yl)propane-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.