2-Methylpropyl (3-nitrophenyl)carbamate
TL;DR: 2-Methylpropyl (3-nitrophenyl)carbamate (CAS 92491-59-3) is a chemical compound with molecular formula C11H14N2O4 and molecular weight 238.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl N-(3-nitrophenyl)carbamate
Also Known As: 2-methylpropyl (3-nitrophenyl)carbamate, BAS 00471399, 2-methylpropyl N-(3-nitrophenyl)carbamate, (3-Nitro-phenyl)-carbamic acid isobutyl ester, (2-methylpropoxy)-N-(3-nitrophenyl)carboxamide
| Molecular Formula | C11H14N2O4 |
|---|---|
| Molecular Weight | 238.10 g/mol |
| LogP | 2.7993 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.09535 |
| Heavy Atoms | 17 |
| Complexity | 417.68738 |
Chemical Identifiers
| CAS Number | 92491-59-3 |
|---|---|
| SMILES | CC(C)COC(=O)NC1=CC(=CC=C1)[N+](=O)[O-] |
Product Overview
2-Methylpropyl (3-nitrophenyl)carbamate (CAS 92491-59-3), with molecular formula C11H14N2O4 and molecular weight 238.10 g/mol. IUPAC: 2-methylpropyl N-(3-nitrophenyl)carbamate.
Chemical Property Profile of 2-Methylpropyl (3-nitrophenyl)carbamate
Property Insights of 2-Methylpropyl (3-nitrophenyl)carbamate
The XLogP value of 2.7993 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylpropyl (3-nitrophenyl)carbamate. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methylpropyl (3-nitrophenyl)carbamate. Following Lipinski's Rule of Five, 2-Methylpropyl (3-nitrophenyl)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 2-Methylpropyl (3-nitrophenyl)carbamate?
The CAS number of 2-Methylpropyl (3-nitrophenyl)carbamate is 92491-59-3.
What is the molecular formula of 2-Methylpropyl (3-nitrophenyl)carbamate?
The molecular formula of 2-Methylpropyl (3-nitrophenyl)carbamate is C11H14N2O4.
What is the molecular weight of 2-Methylpropyl (3-nitrophenyl)carbamate?
The molecular weight of 2-Methylpropyl (3-nitrophenyl)carbamate is 238.10 g/mol.
Where can I buy 2-Methylpropyl (3-nitrophenyl)carbamate?
You can request a quote for 2-Methylpropyl (3-nitrophenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylpropyl (3-nitrophenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylpropyl (3-nitrophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.