6-Chloro-1-methoxy-benzotriazole
TL;DR: 6-Chloro-1-methoxy-benzotriazole (CAS 68930-08-5) is a chemical compound with molecular formula C7H6ClN3O and molecular weight 183.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-1-methoxybenzotriazole
Also Known As: 6-chloro-1-methoxybenzotriazole, 6-CHLORO-1-METHOXY-BENZOTRIAZOLE, 1H-Benzotriazole,6-chloro-1-methoxy-, 6-Chloro-1-methoxy-1H-1,2,3-benzotriazole
| Molecular Formula | C7H6ClN3O |
|---|---|
| Molecular Weight | 183.02 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 39.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.01994 |
| Heavy Atoms | 12 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 68930-08-5 |
|---|---|
| SMILES | CON1C2=C(C=CC(=C2)Cl)N=N1 |
| InChIKey | PAIFCPOODZQKSG-UHFFFAOYSA-N |
Product Overview
6-Chloro-1-methoxy-benzotriazole (CAS 68930-08-5), with molecular formula C7H6ClN3O and molecular weight 183.02 g/mol. IUPAC: 6-chloro-1-methoxybenzotriazole.
Chemical Property Profile of 6-Chloro-1-methoxy-benzotriazole
Property Insights of 6-Chloro-1-methoxy-benzotriazole
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-1-methoxy-benzotriazole. With a topological polar surface area (TPSA) of 39.9 Ų, 6-Chloro-1-methoxy-benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-1-methoxy-benzotriazole 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 6-Chloro-1-methoxy-benzotriazole?
The CAS number of 6-Chloro-1-methoxy-benzotriazole is 68930-08-5.
What is the molecular formula of 6-Chloro-1-methoxy-benzotriazole?
The molecular formula of 6-Chloro-1-methoxy-benzotriazole is C7H6ClN3O.
What is the molecular weight of 6-Chloro-1-methoxy-benzotriazole?
The molecular weight of 6-Chloro-1-methoxy-benzotriazole is 183.02 g/mol.
Where can I buy 6-Chloro-1-methoxy-benzotriazole?
You can request a quote for 6-Chloro-1-methoxy-benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-1-methoxy-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-1-methoxy-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.