butyl N-(3-nitrophenyl)carbamate
TL;DR: butyl N-(3-nitrophenyl)carbamate (CAS 92491-58-2) 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.
butyl N-(3-nitrophenyl)carbamate
Also Known As: butyl N-(3-nitrophenyl)carbamate, Butyl (3-nitrophenyl)carbamate, m-Nitro carbanilic acid, n-butyl ester, BAS 00471401, (3-Nitro-phenyl)-carbamic acid butyl ester
| Molecular Formula | C11H14N2O4 |
|---|---|
| Molecular Weight | 238.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 238.09535 |
| Heavy Atoms | 17 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 92491-58-2 |
|---|---|
| SMILES | CCCCOC(=O)NC1=CC(=CC=C1)[N+](=O)[O-] |
| InChIKey | WKYFETOEICLKPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
butyl N-(3-nitrophenyl)carbamate (CAS 92491-58-2), with molecular formula C11H14N2O4 and molecular weight 238.10 g/mol. IUPAC: butyl N-(3-nitrophenyl)carbamate.
Chemical Property Profile of butyl N-(3-nitrophenyl)carbamate
Property Insights of butyl N-(3-nitrophenyl)carbamate
The XLogP value of 3.1 indicates that butyl N-(3-nitrophenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for butyl N-(3-nitrophenyl)carbamate. Following Lipinski's Rule of Five, butyl N-(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 butyl N-(3-nitrophenyl)carbamate?
The CAS number of butyl N-(3-nitrophenyl)carbamate is 92491-58-2.
What is the molecular formula of butyl N-(3-nitrophenyl)carbamate?
The molecular formula of butyl N-(3-nitrophenyl)carbamate is C11H14N2O4.
What is the molecular weight of butyl N-(3-nitrophenyl)carbamate?
The molecular weight of butyl N-(3-nitrophenyl)carbamate is 238.10 g/mol.
Where can I buy butyl N-(3-nitrophenyl)carbamate?
You can request a quote for butyl N-(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 butyl N-(3-nitrophenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for butyl N-(3-nitrophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.