Benzotriazole-1-carbonyl chloride
TL;DR: Benzotriazole-1-carbonyl chloride (CAS 65095-13-8) is a chemical compound with molecular formula C7H4ClN3O and molecular weight 181.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzotriazole-1-carbonyl chloride
Also Known As: Benzotriazole-1-carbonyl chloride, 1H-Benzotriazole-1-carbonyl chloride, 1-CHLOROCARBONYLBENZOTRIAZOLE, 1-benzotriazole carboxylic acid chloride, benzotriazole-1-carboxylic acid chloride
| Molecular Formula | C7H4ClN3O |
|---|---|
| Molecular Weight | 181.00 g/mol |
| LogP | 1.6382 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.00429 |
| Heavy Atoms | 12 |
| Complexity | 436.89905 |
Chemical Identifiers
| CAS Number | 65095-13-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2C(=O)Cl |
Product Overview
Benzotriazole-1-carbonyl chloride (CAS 65095-13-8), with molecular formula C7H4ClN3O and molecular weight 181.00 g/mol. IUPAC: benzotriazole-1-carbonyl chloride.
Chemical Property Profile of Benzotriazole-1-carbonyl chloride
Property Insights of Benzotriazole-1-carbonyl chloride
The XLogP value of 1.6382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzotriazole-1-carbonyl chloride. With a topological polar surface area (TPSA) of 47.78 Ų, Benzotriazole-1-carbonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzotriazole-1-carbonyl chloride has 0 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 Benzotriazole-1-carbonyl chloride?
The CAS number of Benzotriazole-1-carbonyl chloride is 65095-13-8.
What is the molecular formula of Benzotriazole-1-carbonyl chloride?
The molecular formula of Benzotriazole-1-carbonyl chloride is C7H4ClN3O.
What is the molecular weight of Benzotriazole-1-carbonyl chloride?
The molecular weight of Benzotriazole-1-carbonyl chloride is 181.00 g/mol.
Where can I buy Benzotriazole-1-carbonyl chloride?
You can request a quote for Benzotriazole-1-carbonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzotriazole-1-carbonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for Benzotriazole-1-carbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.