phenyl 2H-benzotriazole-5-carboxylate
TL;DR: phenyl 2H-benzotriazole-5-carboxylate (CAS 84902-17-0) is a chemical compound with molecular formula C13H9N3O2 and molecular weight 239.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 2H-benzotriazole-5-carboxylate
Also Known As: phenyl 2H-benzotriazole-5-carboxylate, phenyl benzotriazole-5-carboxylate, phenyl 1H-benzotriazole-6-carboxylate, phenyl 1H-1,2,3-benzotriazole-5-carboxylate, 1H-Benzotriazole-5-carboxylic acid phenyl ester
| Molecular Formula | C13H9N3O2 |
|---|---|
| Molecular Weight | 239.07 g/mol |
| LogP | 2.1771 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.06947 |
| Heavy Atoms | 18 |
| Complexity | 691.53754 |
Chemical Identifiers
| CAS Number | 84902-17-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)C2=CC3=NNN=C3C=C2 |
Product Overview
phenyl 2H-benzotriazole-5-carboxylate (CAS 84902-17-0), with molecular formula C13H9N3O2 and molecular weight 239.07 g/mol. IUPAC: phenyl 2H-benzotriazole-5-carboxylate.
Chemical Property Profile of phenyl 2H-benzotriazole-5-carboxylate
Property Insights of phenyl 2H-benzotriazole-5-carboxylate
The XLogP value of 2.1771 suggests moderate lipophilicity, balancing water solubility and membrane permeability for phenyl 2H-benzotriazole-5-carboxylate. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for phenyl 2H-benzotriazole-5-carboxylate. Following Lipinski's Rule of Five, phenyl 2H-benzotriazole-5-carboxylate has 1 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 phenyl 2H-benzotriazole-5-carboxylate?
The CAS number of phenyl 2H-benzotriazole-5-carboxylate is 84902-17-0.
What is the molecular formula of phenyl 2H-benzotriazole-5-carboxylate?
The molecular formula of phenyl 2H-benzotriazole-5-carboxylate is C13H9N3O2.
What is the molecular weight of phenyl 2H-benzotriazole-5-carboxylate?
The molecular weight of phenyl 2H-benzotriazole-5-carboxylate is 239.07 g/mol.
Where can I buy phenyl 2H-benzotriazole-5-carboxylate?
You can request a quote for phenyl 2H-benzotriazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for phenyl 2H-benzotriazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for phenyl 2H-benzotriazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.