(4-tert-butylphenyl) N-(1-methylbenzotriazol-5-yl)carbamate
TL;DR: (4-tert-butylphenyl) N-(1-methylbenzotriazol-5-yl)carbamate (CAS 693797-57-8) is a chemical compound with molecular formula C18H20N4O2 and molecular weight 324.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylphenyl) N-(1-methylbenzotriazol-5-yl)carbamate
Also Known As: AH-487/41947176, (4-tert-butylphenyl) N-(1-methylbenzotriazol-5-yl)carbamate, 4-tert-butylphenyl 1-methyl-1H-1,2,3-benzotriazol-5-ylcarbamate, 4-(tert-butyl)phenyl (1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)carbamate
| Molecular Formula | C18H20N4O2 |
|---|---|
| Molecular Weight | 324.16 g/mol |
| LogP | 3.8767 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.15863 |
| Heavy Atoms | 24 |
| Complexity | 876.1653 |
Chemical Identifiers
| CAS Number | 693797-57-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC(=O)NC2=CC3=C(C=C2)N(N=N3)C |
Product Overview
(4-tert-butylphenyl) N-(1-methylbenzotriazol-5-yl)carbamate (CAS 693797-57-8), with molecular formula C18H20N4O2 and molecular weight 324.16 g/mol. IUPAC: (4-tert-butylphenyl) N-(1-methylbenzotriazol-5-yl)carbamate.
Chemical Property Profile of (4-tert-butylphenyl) N-(1-methylbenzotriazol-5-yl)carbamate
Property Insights of (4-tert-butylphenyl) N-(1-methylbenzotriazol-5-yl)carbamate
The XLogP value of 3.8767 indicates that (4-tert-butylphenyl) N-(1-methylbenzotriazol-5-yl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-tert-butylphenyl) N-(1-methylbenzotriazol-5-yl)carbamate. Following Lipinski's Rule of Five, (4-tert-butylphenyl) N-(1-methylbenzotriazol-5-yl)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 (4-tert-butylphenyl) N-(1-methylbenzotriazol-5-yl)carbamate?
The CAS number of (4-tert-butylphenyl) N-(1-methylbenzotriazol-5-yl)carbamate is 693797-57-8.
What is the molecular formula of (4-tert-butylphenyl) N-(1-methylbenzotriazol-5-yl)carbamate?
The molecular formula of (4-tert-butylphenyl) N-(1-methylbenzotriazol-5-yl)carbamate is C18H20N4O2.
What is the molecular weight of (4-tert-butylphenyl) N-(1-methylbenzotriazol-5-yl)carbamate?
The molecular weight of (4-tert-butylphenyl) N-(1-methylbenzotriazol-5-yl)carbamate is 324.16 g/mol.
Where can I buy (4-tert-butylphenyl) N-(1-methylbenzotriazol-5-yl)carbamate?
You can request a quote for (4-tert-butylphenyl) N-(1-methylbenzotriazol-5-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-tert-butylphenyl) N-(1-methylbenzotriazol-5-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for (4-tert-butylphenyl) N-(1-methylbenzotriazol-5-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.