1H-Benzotriazole-1-methanol
TL;DR: 1H-Benzotriazole-1-methanol (CAS 131880-16-5) is a chemical compound with molecular formula C7H7N3O and molecular weight 149.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzotriazol-1-ylmethanol
Also Known As: 1H-Benzotriazole-1-methanol, 1-(Hydroxymethyl)benzotriazole, benzotriazol-1-ylmethanol, 1-Benzotriazolemethanol, Calciumhydroxide
| Molecular Formula | C7H7N3O |
|---|---|
| Molecular Weight | 149.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 50.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 149.05891 |
| Heavy Atoms | 11 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 131880-16-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2CO |
| InChIKey | MXJIHEXYGRXHGP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Benzotriazole-1-methanol (CAS 131880-16-5), with molecular formula C7H7N3O and molecular weight 149.06 g/mol. IUPAC: benzotriazol-1-ylmethanol.
Chemical Property Profile of 1H-Benzotriazole-1-methanol
Property Insights of 1H-Benzotriazole-1-methanol
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benzotriazole-1-methanol. With a topological polar surface area (TPSA) of 50.9 Ų, 1H-Benzotriazole-1-methanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Benzotriazole-1-methanol 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 1H-Benzotriazole-1-methanol?
The CAS number of 1H-Benzotriazole-1-methanol is 131880-16-5.
What is the molecular formula of 1H-Benzotriazole-1-methanol?
The molecular formula of 1H-Benzotriazole-1-methanol is C7H7N3O.
What is the molecular weight of 1H-Benzotriazole-1-methanol?
The molecular weight of 1H-Benzotriazole-1-methanol is 149.06 g/mol.
Where can I buy 1H-Benzotriazole-1-methanol?
You can request a quote for 1H-Benzotriazole-1-methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzotriazole-1-methanol?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzotriazole-1-methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.