Methyl N-(benzotriazol-1-ylmethyl)carbamate
TL;DR: Methyl N-(benzotriazol-1-ylmethyl)carbamate (CAS 149681-91-4) 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.
methyl N-(benzotriazol-1-ylmethyl)carbamate
Also Known As: starbld0024387, Methyl N-(1H-1,2,3-benzotriazol-1-ylmethyl)carbamate, Methyl N-(benzotriazol-1-ylmethyl)carbamate, Methyl ((1H-benzo[d][1,2,3]triazol-1-yl)methyl)carbamate, methyl N-[(1H-1,2,3-benzotriazol-1-yl)methyl]carbamate
| Molecular Formula | C9H10N4O2 |
|---|---|
| Molecular Weight | 206.08 g/mol |
| LogP | 0.7448 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.08037 |
| Heavy Atoms | 15 |
| Complexity | 479.672 |
Chemical Identifiers
| CAS Number | 149681-91-4 |
|---|---|
| SMILES | COC(=O)NCN1C2=CC=CC=C2N=N1 |
Product Overview
Methyl N-(benzotriazol-1-ylmethyl)carbamate (CAS 149681-91-4), with molecular formula C9H10N4O2 and molecular weight 206.08 g/mol. IUPAC: methyl N-(benzotriazol-1-ylmethyl)carbamate.
Chemical Property Profile of Methyl N-(benzotriazol-1-ylmethyl)carbamate
Property Insights of Methyl N-(benzotriazol-1-ylmethyl)carbamate
The XLogP value of 0.7448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl N-(benzotriazol-1-ylmethyl)carbamate. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl N-(benzotriazol-1-ylmethyl)carbamate. Following Lipinski's Rule of Five, Methyl N-(benzotriazol-1-ylmethyl)carbamate has 1 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 Methyl N-(benzotriazol-1-ylmethyl)carbamate?
The CAS number of Methyl N-(benzotriazol-1-ylmethyl)carbamate is 149681-91-4.
What is the molecular formula of Methyl N-(benzotriazol-1-ylmethyl)carbamate?
The molecular formula of Methyl N-(benzotriazol-1-ylmethyl)carbamate is C9H10N4O2.
What is the molecular weight of Methyl N-(benzotriazol-1-ylmethyl)carbamate?
The molecular weight of Methyl N-(benzotriazol-1-ylmethyl)carbamate is 206.08 g/mol.
Where can I buy Methyl N-(benzotriazol-1-ylmethyl)carbamate?
You can request a quote for Methyl N-(benzotriazol-1-ylmethyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N-(benzotriazol-1-ylmethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-(benzotriazol-1-ylmethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.