1-(Dimethylcarbamoyl)-1H-1,2,3-benzotriazol-3-ium-3-olate
TL;DR: 1-(Dimethylcarbamoyl)-1H-1,2,3-benzotriazol-3-ium-3-olate (CAS 305862-39-9) 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.
N,N-dimethyl-3-oxidobenzotriazol-3-ium-1-carboxamide
Also Known As: 1-(Dimethylcarbamoyl)-1H-1,2,3-benzotriazol-3-ium-3-olate, N,N-dimethyl-3-oxido-benzotriazole-1-carboxamide, N,N-dimethyl-3-oxidobenzotriazol-3-ium-1-carboxamide
| Molecular Formula | C9H10N4O2 |
|---|---|
| Molecular Weight | 206.08 g/mol |
| LogP | 0.1994 |
| Topological Polar Surface Area | 65.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 206.08037 |
| Heavy Atoms | 15 |
| Complexity | 517.80676 |
Chemical Identifiers
| CAS Number | 305862-39-9 |
|---|---|
| SMILES | CN(C)C(=O)N1C2=CC=CC=C2[N+](=N1)[O-] |
Product Overview
1-(Dimethylcarbamoyl)-1H-1,2,3-benzotriazol-3-ium-3-olate (CAS 305862-39-9), with molecular formula C9H10N4O2 and molecular weight 206.08 g/mol. IUPAC: N,N-dimethyl-3-oxidobenzotriazol-3-ium-1-carboxamide.
Chemical Property Profile of 1-(Dimethylcarbamoyl)-1H-1,2,3-benzotriazol-3-ium-3-olate
Property Insights of 1-(Dimethylcarbamoyl)-1H-1,2,3-benzotriazol-3-ium-3-olate
The XLogP value of 0.1994 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Dimethylcarbamoyl)-1H-1,2,3-benzotriazol-3-ium-3-olate. The TPSA of 65.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Dimethylcarbamoyl)-1H-1,2,3-benzotriazol-3-ium-3-olate. Following Lipinski's Rule of Five, 1-(Dimethylcarbamoyl)-1H-1,2,3-benzotriazol-3-ium-3-olate 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-(Dimethylcarbamoyl)-1H-1,2,3-benzotriazol-3-ium-3-olate?
The CAS number of 1-(Dimethylcarbamoyl)-1H-1,2,3-benzotriazol-3-ium-3-olate is 305862-39-9.
What is the molecular formula of 1-(Dimethylcarbamoyl)-1H-1,2,3-benzotriazol-3-ium-3-olate?
The molecular formula of 1-(Dimethylcarbamoyl)-1H-1,2,3-benzotriazol-3-ium-3-olate is C9H10N4O2.
What is the molecular weight of 1-(Dimethylcarbamoyl)-1H-1,2,3-benzotriazol-3-ium-3-olate?
The molecular weight of 1-(Dimethylcarbamoyl)-1H-1,2,3-benzotriazol-3-ium-3-olate is 206.08 g/mol.
Where can I buy 1-(Dimethylcarbamoyl)-1H-1,2,3-benzotriazol-3-ium-3-olate?
You can request a quote for 1-(Dimethylcarbamoyl)-1H-1,2,3-benzotriazol-3-ium-3-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Dimethylcarbamoyl)-1H-1,2,3-benzotriazol-3-ium-3-olate?
Yes, KEHONG BIO provides custom synthesis services for 1-(Dimethylcarbamoyl)-1H-1,2,3-benzotriazol-3-ium-3-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.