1-Methoxybenzotriazole
TL;DR: 1-Methoxybenzotriazole (CAS 22713-34-4) 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.
1-methoxybenzotriazole
Also Known As: 1-methoxybenzotriazole, 1-Methoxy-1H-benzotriazole, 1-methoxy-1H-1,2,3-benzotriazole, 1-methoxy-1,2,3-benzotriazole, 1H-BENZOTRIAZOLE,1-METHOXY-
| Molecular Formula | C7H7N3O |
|---|---|
| Molecular Weight | 149.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 39.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 149.05891 |
| Heavy Atoms | 11 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 22713-34-4 |
|---|---|
| SMILES | CON1C2=CC=CC=C2N=N1 |
| InChIKey | ZHPSBMQVLQEIIC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methoxybenzotriazole (CAS 22713-34-4), with molecular formula C7H7N3O and molecular weight 149.06 g/mol. IUPAC: 1-methoxybenzotriazole.
Chemical Property Profile of 1-Methoxybenzotriazole
Property Insights of 1-Methoxybenzotriazole
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methoxybenzotriazole. With a topological polar surface area (TPSA) of 39.9 Ų, 1-Methoxybenzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methoxybenzotriazole 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 1-Methoxybenzotriazole?
The CAS number of 1-Methoxybenzotriazole is 22713-34-4.
What is the molecular formula of 1-Methoxybenzotriazole?
The molecular formula of 1-Methoxybenzotriazole is C7H7N3O.
What is the molecular weight of 1-Methoxybenzotriazole?
The molecular weight of 1-Methoxybenzotriazole is 149.06 g/mol.
Where can I buy 1-Methoxybenzotriazole?
You can request a quote for 1-Methoxybenzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methoxybenzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Methoxybenzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.