1-Methyl-1h-1,2,3-benzotriazole-5-carbonyl chloride
TL;DR: 1-Methyl-1h-1,2,3-benzotriazole-5-carbonyl chloride (CAS 423768-38-1) is a chemical compound with molecular formula C8H6ClN3O and molecular weight 195.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylbenzotriazole-5-carbonyl chloride
Also Known As: 1-methyl-1h-1,2,3-benzotriazole-5-carbonyl chloride, 1-methylbenzotriazole-5-carbonyl chloride, 2'-Deoxy-2'-fluorocytidine, 1-Methyl-1H-benzotriazole-5-carbonyl chloride, 1-methyl-5-benzotriazolecarbonyl chloride
| Molecular Formula | C8H6ClN3O |
|---|---|
| Molecular Weight | 195.02 g/mol |
| LogP | 1.3473 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.01994 |
| Heavy Atoms | 13 |
| Complexity | 477.1939 |
Chemical Identifiers
| CAS Number | 423768-38-1 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)C(=O)Cl)N=N1 |
Product Overview
1-Methyl-1h-1,2,3-benzotriazole-5-carbonyl chloride (CAS 423768-38-1), with molecular formula C8H6ClN3O and molecular weight 195.02 g/mol. IUPAC: 1-methylbenzotriazole-5-carbonyl chloride.
Chemical Property Profile of 1-Methyl-1h-1,2,3-benzotriazole-5-carbonyl chloride
Property Insights of 1-Methyl-1h-1,2,3-benzotriazole-5-carbonyl chloride
The XLogP value of 1.3473 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-1h-1,2,3-benzotriazole-5-carbonyl chloride. With a topological polar surface area (TPSA) of 47.78 Ų, 1-Methyl-1h-1,2,3-benzotriazole-5-carbonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-1h-1,2,3-benzotriazole-5-carbonyl chloride 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-Methyl-1h-1,2,3-benzotriazole-5-carbonyl chloride?
The CAS number of 1-Methyl-1h-1,2,3-benzotriazole-5-carbonyl chloride is 423768-38-1.
What is the molecular formula of 1-Methyl-1h-1,2,3-benzotriazole-5-carbonyl chloride?
The molecular formula of 1-Methyl-1h-1,2,3-benzotriazole-5-carbonyl chloride is C8H6ClN3O.
What is the molecular weight of 1-Methyl-1h-1,2,3-benzotriazole-5-carbonyl chloride?
The molecular weight of 1-Methyl-1h-1,2,3-benzotriazole-5-carbonyl chloride is 195.02 g/mol.
Where can I buy 1-Methyl-1h-1,2,3-benzotriazole-5-carbonyl chloride?
You can request a quote for 1-Methyl-1h-1,2,3-benzotriazole-5-carbonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-1h-1,2,3-benzotriazole-5-carbonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-1h-1,2,3-benzotriazole-5-carbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.