1-(Chloromethyl)-5,6-dimethylbenzotriazole
TL;DR: 1-(Chloromethyl)-5,6-dimethylbenzotriazole (CAS 92990-98-2) is a chemical compound with molecular formula C9H10ClN3 and molecular weight 195.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(chloromethyl)-5,6-dimethylbenzotriazole
Also Known As: 1-(chloromethyl)-5,6-dimethylbenzotriazole, 1-(chloromethyl)-5,6-dimethyl-benzotriazole, 1H-Benzotriazole, 1-(chloromethyl)-5,6-dimethyl- (9CI)
| Molecular Formula | C9H10ClN3 |
|---|---|
| Molecular Weight | 195.06 g/mol |
| LogP | 2.24444 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.05632 |
| Heavy Atoms | 13 |
| Complexity | 447.3017 |
Chemical Identifiers
| CAS Number | 92990-98-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(N=N2)CCl |
Product Overview
1-(Chloromethyl)-5,6-dimethylbenzotriazole (CAS 92990-98-2), with molecular formula C9H10ClN3 and molecular weight 195.06 g/mol. IUPAC: 1-(chloromethyl)-5,6-dimethylbenzotriazole.
Chemical Property Profile of 1-(Chloromethyl)-5,6-dimethylbenzotriazole
Property Insights of 1-(Chloromethyl)-5,6-dimethylbenzotriazole
The XLogP value of 2.24444 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Chloromethyl)-5,6-dimethylbenzotriazole. With a topological polar surface area (TPSA) of 30.71 Ų, 1-(Chloromethyl)-5,6-dimethylbenzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Chloromethyl)-5,6-dimethylbenzotriazole has 0 hydrogen bond donor(s) and 2 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-(Chloromethyl)-5,6-dimethylbenzotriazole?
The CAS number of 1-(Chloromethyl)-5,6-dimethylbenzotriazole is 92990-98-2.
What is the molecular formula of 1-(Chloromethyl)-5,6-dimethylbenzotriazole?
The molecular formula of 1-(Chloromethyl)-5,6-dimethylbenzotriazole is C9H10ClN3.
What is the molecular weight of 1-(Chloromethyl)-5,6-dimethylbenzotriazole?
The molecular weight of 1-(Chloromethyl)-5,6-dimethylbenzotriazole is 195.06 g/mol.
Where can I buy 1-(Chloromethyl)-5,6-dimethylbenzotriazole?
You can request a quote for 1-(Chloromethyl)-5,6-dimethylbenzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Chloromethyl)-5,6-dimethylbenzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(Chloromethyl)-5,6-dimethylbenzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.