1H-1,2,3-benzotriazol-1-yl N,N-dimethylcarbamate
TL;DR: 1H-1,2,3-benzotriazol-1-yl N,N-dimethylcarbamate (CAS 39968-13-3) is a chemical compound with molecular formula C9H10N4O2 and molecular weight 206.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzotriazol-1-yl N,N-dimethylcarbamate
Also Known As: 1H-1,2,3-benzotriazol-1-yl N,N-dimethylcarbamate, benzotriazol-1-yl N,N-dimethylcarbamate, 1H-Benzo[d][1,2,3]triazol-1-yl dimethylcarbamate, 1H-Benzotriazole, 1-[[(dimethylamino)carbonyl]oxy]-, 1,2,3-benzotriazol-1-yl N,N-dimethylcarbamate
| Molecular Formula | C9H10N4O2 |
|---|---|
| Molecular Weight | 206.08 g/mol |
| LogP | 0.5415 |
| Topological Polar Surface Area | 60.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.08037 |
| Heavy Atoms | 15 |
| Complexity | 491.57294 |
Chemical Identifiers
| CAS Number | 39968-13-3 |
|---|---|
| SMILES | CN(C)C(=O)ON1C2=CC=CC=C2N=N1 |
Product Overview
1H-1,2,3-benzotriazol-1-yl N,N-dimethylcarbamate (CAS 39968-13-3), with molecular formula C9H10N4O2 and molecular weight 206.08 g/mol. IUPAC: benzotriazol-1-yl N,N-dimethylcarbamate.
Chemical Property Profile of 1H-1,2,3-benzotriazol-1-yl N,N-dimethylcarbamate
Property Insights of 1H-1,2,3-benzotriazol-1-yl N,N-dimethylcarbamate
The XLogP value of 0.5415 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,3-benzotriazol-1-yl N,N-dimethylcarbamate. The TPSA of 60.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,2,3-benzotriazol-1-yl N,N-dimethylcarbamate. Following Lipinski's Rule of Five, 1H-1,2,3-benzotriazol-1-yl N,N-dimethylcarbamate has 0 hydrogen bond donor(s) and 4 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-1,2,3-benzotriazol-1-yl N,N-dimethylcarbamate?
The CAS number of 1H-1,2,3-benzotriazol-1-yl N,N-dimethylcarbamate is 39968-13-3.
What is the molecular formula of 1H-1,2,3-benzotriazol-1-yl N,N-dimethylcarbamate?
The molecular formula of 1H-1,2,3-benzotriazol-1-yl N,N-dimethylcarbamate is C9H10N4O2.
What is the molecular weight of 1H-1,2,3-benzotriazol-1-yl N,N-dimethylcarbamate?
The molecular weight of 1H-1,2,3-benzotriazol-1-yl N,N-dimethylcarbamate is 206.08 g/mol.
Where can I buy 1H-1,2,3-benzotriazol-1-yl N,N-dimethylcarbamate?
You can request a quote for 1H-1,2,3-benzotriazol-1-yl N,N-dimethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,3-benzotriazol-1-yl N,N-dimethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,3-benzotriazol-1-yl N,N-dimethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.