3-nitrophenyl N-butylcarbamate
TL;DR: 3-nitrophenyl N-butylcarbamate (CAS 37801-10-8) 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.
(3-nitrophenyl) N-butylcarbamate
Also Known As: 3-nitrophenyl N-butylcarbamate, (3-nitrophenyl) N-butylcarbamate, 3-nitrophenyl-N-n-butyl carbamate
| Molecular Formula | C11H14N2O4 |
|---|---|
| Molecular Weight | 238.10 g/mol |
| LogP | 2.4833 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 238.09535 |
| Heavy Atoms | 17 |
| Complexity | 406.21283 |
Chemical Identifiers
| CAS Number | 37801-10-8 |
|---|---|
| SMILES | CCCCNC(=O)OC1=CC=CC(=C1)[N+](=O)[O-] |
Product Overview
3-nitrophenyl N-butylcarbamate (CAS 37801-10-8), with molecular formula C11H14N2O4 and molecular weight 238.10 g/mol. IUPAC: (3-nitrophenyl) N-butylcarbamate.
Chemical Property Profile of 3-nitrophenyl N-butylcarbamate
Property Insights of 3-nitrophenyl N-butylcarbamate
The XLogP value of 2.4833 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-nitrophenyl N-butylcarbamate. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-nitrophenyl N-butylcarbamate. Following Lipinski's Rule of Five, 3-nitrophenyl N-butylcarbamate 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 3-nitrophenyl N-butylcarbamate?
The CAS number of 3-nitrophenyl N-butylcarbamate is 37801-10-8.
What is the molecular formula of 3-nitrophenyl N-butylcarbamate?
The molecular formula of 3-nitrophenyl N-butylcarbamate is C11H14N2O4.
What is the molecular weight of 3-nitrophenyl N-butylcarbamate?
The molecular weight of 3-nitrophenyl N-butylcarbamate is 238.10 g/mol.
Where can I buy 3-nitrophenyl N-butylcarbamate?
You can request a quote for 3-nitrophenyl N-butylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-nitrophenyl N-butylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 3-nitrophenyl N-butylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.