1H-Benzotriazol-1-ylphosphonic acid
TL;DR: 1H-Benzotriazol-1-ylphosphonic acid (CAS 6881-60-3) is a chemical compound with molecular formula C6H6N3O3P and molecular weight 199.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzotriazol-1-ylphosphonic acid
Also Known As: Benzotriazol-1-ylphosphonic Acid, 1H-Benzotriazole-1-ylphosphonic acid, 1H-Benzotriazol-1-ylphosphonic acid, (1h-1,2,3-benzotriazol-1-yl)phosphonic acid, Phosphonic acid, 1H-benzotriazol-1-yl-
| Molecular Formula | C6H6N3O3P |
|---|---|
| Molecular Weight | 199.01 g/mol |
| LogP | 0.3721 |
| Topological Polar Surface Area | 88.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.01468 |
| Heavy Atoms | 13 |
| Complexity | 488.58505 |
Chemical Identifiers
| CAS Number | 6881-60-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2P(=O)(O)O |
Product Overview
1H-Benzotriazol-1-ylphosphonic acid (CAS 6881-60-3), with molecular formula C6H6N3O3P and molecular weight 199.01 g/mol. IUPAC: benzotriazol-1-ylphosphonic acid.
Chemical Property Profile of 1H-Benzotriazol-1-ylphosphonic acid
Property Insights of 1H-Benzotriazol-1-ylphosphonic acid
The XLogP value of 0.3721 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benzotriazol-1-ylphosphonic acid. The TPSA of 88.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Benzotriazol-1-ylphosphonic acid. Following Lipinski's Rule of Five, 1H-Benzotriazol-1-ylphosphonic acid has 2 hydrogen bond donor(s) and 3 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 1H-Benzotriazol-1-ylphosphonic acid?
The CAS number of 1H-Benzotriazol-1-ylphosphonic acid is 6881-60-3.
What is the molecular formula of 1H-Benzotriazol-1-ylphosphonic acid?
The molecular formula of 1H-Benzotriazol-1-ylphosphonic acid is C6H6N3O3P.
What is the molecular weight of 1H-Benzotriazol-1-ylphosphonic acid?
The molecular weight of 1H-Benzotriazol-1-ylphosphonic acid is 199.01 g/mol.
Where can I buy 1H-Benzotriazol-1-ylphosphonic acid?
You can request a quote for 1H-Benzotriazol-1-ylphosphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzotriazol-1-ylphosphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzotriazol-1-ylphosphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.