羟基苯并三唑
TL;DR: 羟基苯并三唑 (CAS 2592-95-2) is a chemical compound with molecular formula C6H5N3O and molecular weight 135.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
羟基苯并三唑
1-hydroxybenzotriazole
Also Known As: 1-Hydroxybenzotriazole, HOBt, Benzazimidol, N-Hydroxybenzotriazole, 1H-Benzotriazol-1-ol
| Molecular Formula | C6H5N3O |
|---|---|
| Molecular Weight | 135.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 50.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 135.04326 |
| Heavy Atoms | 10 |
| Complexity | 130.0 |
| Solubility | 8.4 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 2592-95-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2O |
| InChIKey | ASOKPJOREAFHNY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
羟基苯并三唑 (CAS 2592-95-2), with molecular formula C6H5N3O and molecular weight 135.04 g/mol. IUPAC: 1-hydroxybenzotriazole.
Chemical Property Profile of 羟基苯并三唑
Property Insights of 羟基苯并三唑
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 羟基苯并三唑. With a topological polar surface area (TPSA) of 50.9 Ų, 羟基苯并三唑 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 羟基苯并三唑 has 1 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 羟基苯并三唑?
The CAS number of 羟基苯并三唑 is 2592-95-2.
What is the molecular formula of 羟基苯并三唑?
The molecular formula of 羟基苯并三唑 is C6H5N3O.
What is the molecular weight of 羟基苯并三唑?
The molecular weight of 羟基苯并三唑 is 135.04 g/mol.
Where can I buy 羟基苯并三唑?
You can request a quote for 羟基苯并三唑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 羟基苯并三唑?
Yes, KEHONG BIO provides custom synthesis services for 羟基苯并三唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.