3-Phenyloxatriazol-3-ium-5-amine chloride
TL;DR: 3-Phenyloxatriazol-3-ium-5-amine chloride (CAS 29185-33-9) is a chemical compound with molecular formula C7H7ClN4O and molecular weight 198.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyloxatriazol-3-ium-5-amine chloride
Also Known As: 3-phenyloxatriazol-3-ium-5-amine chloride, 3-phenyloxatriazol-3-ium-5-amine,chloride, 3-phenyloxatriazol-3-ium-5-amine;chloride, 1,3,4-Oxatriazolium, 5-amino-3-phenyl-, chloride, 5-Amino-3-phenyl-1,2,3,4-oxatriazol-3-ium chloride
| Molecular Formula | C7H7ClN4O |
|---|---|
| Molecular Weight | 198.03 g/mol |
| LogP | -3.0675 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.03084 |
| Heavy Atoms | 13 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 29185-33-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)[N+]2=NOC(=N2)N.[Cl-] |
| InChIKey | QYSDAYOVDDUVNM-UHFFFAOYSA-M |
Product Overview
3-Phenyloxatriazol-3-ium-5-amine chloride (CAS 29185-33-9), with molecular formula C7H7ClN4O and molecular weight 198.03 g/mol. IUPAC: 3-phenyloxatriazol-3-ium-5-amine chloride.
Chemical Property Profile of 3-Phenyloxatriazol-3-ium-5-amine chloride
Property Insights of 3-Phenyloxatriazol-3-ium-5-amine chloride
The XLogP value of -3.0675 indicates that 3-Phenyloxatriazol-3-ium-5-amine chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Phenyloxatriazol-3-ium-5-amine chloride. Following Lipinski's Rule of Five, 3-Phenyloxatriazol-3-ium-5-amine chloride 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 3-Phenyloxatriazol-3-ium-5-amine chloride?
The CAS number of 3-Phenyloxatriazol-3-ium-5-amine chloride is 29185-33-9.
What is the molecular formula of 3-Phenyloxatriazol-3-ium-5-amine chloride?
The molecular formula of 3-Phenyloxatriazol-3-ium-5-amine chloride is C7H7ClN4O.
What is the molecular weight of 3-Phenyloxatriazol-3-ium-5-amine chloride?
The molecular weight of 3-Phenyloxatriazol-3-ium-5-amine chloride is 198.03 g/mol.
Where can I buy 3-Phenyloxatriazol-3-ium-5-amine chloride?
You can request a quote for 3-Phenyloxatriazol-3-ium-5-amine chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyloxatriazol-3-ium-5-amine chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyloxatriazol-3-ium-5-amine chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.