1-Benztriazolyldiethylphosphate
TL;DR: 1-Benztriazolyldiethylphosphate (CAS 96338-11-3) is a chemical compound with molecular formula C10H14N3O4P and molecular weight 271.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzotriazol-1-yl diethyl phosphate
Also Known As: 1-benztriazolyldiethylphosphate, 1-benzotriazolyl diethyl phosphate, 1-diethoxyphosphoryloxybenzotriazole
| Molecular Formula | C10H14N3O4P |
|---|---|
| Molecular Weight | 271.07 g/mol |
| LogP | 2.041 |
| Topological Polar Surface Area | 75.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 271.0722 |
| Heavy Atoms | 18 |
| Complexity | 561.00305 |
Chemical Identifiers
| CAS Number | 96338-11-3 |
|---|---|
| SMILES | CCOP(=O)(OCC)ON1C2=CC=CC=C2N=N1 |
Product Overview
1-Benztriazolyldiethylphosphate (CAS 96338-11-3), with molecular formula C10H14N3O4P and molecular weight 271.07 g/mol. IUPAC: benzotriazol-1-yl diethyl phosphate.
Chemical Property Profile of 1-Benztriazolyldiethylphosphate
Property Insights of 1-Benztriazolyldiethylphosphate
The XLogP value of 2.041 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benztriazolyldiethylphosphate. The TPSA of 75.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benztriazolyldiethylphosphate. Following Lipinski's Rule of Five, 1-Benztriazolyldiethylphosphate has 0 hydrogen bond donor(s) and 6 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 1-Benztriazolyldiethylphosphate?
The CAS number of 1-Benztriazolyldiethylphosphate is 96338-11-3.
What is the molecular formula of 1-Benztriazolyldiethylphosphate?
The molecular formula of 1-Benztriazolyldiethylphosphate is C10H14N3O4P.
What is the molecular weight of 1-Benztriazolyldiethylphosphate?
The molecular weight of 1-Benztriazolyldiethylphosphate is 271.07 g/mol.
Where can I buy 1-Benztriazolyldiethylphosphate?
You can request a quote for 1-Benztriazolyldiethylphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benztriazolyldiethylphosphate?
Yes, KEHONG BIO provides custom synthesis services for 1-Benztriazolyldiethylphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.