Carbamic acid, (4-nitrophenyl)-, hexyl ester
TL;DR: Carbamic acid, (4-nitrophenyl)-, hexyl ester (CAS 87458-01-3) is a chemical compound with molecular formula C13H18N2O4 and molecular weight 266.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl N-(4-nitrophenyl)carbamate
Also Known As: Hexyl (4-nitrophenyl)carbamate, hexyl N-(4-nitrophenyl)carbamate, p-Nitro carbanilic acid, n-hexyl ester, Carbamic acid, (4-nitrophenyl)-, hexyl ester, RefChem:332135
| Molecular Formula | C13H18N2O4 |
|---|---|
| Molecular Weight | 266.13 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 266.12665 |
| Heavy Atoms | 19 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 87458-01-3 |
|---|---|
| SMILES | CCCCCCOC(=O)NC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | OFSOQJSHCDPUIU-UHFFFAOYSA-N |
Product Overview
Carbamic acid, (4-nitrophenyl)-, hexyl ester (CAS 87458-01-3), with molecular formula C13H18N2O4 and molecular weight 266.13 g/mol. IUPAC: hexyl N-(4-nitrophenyl)carbamate.
Chemical Property Profile of Carbamic acid, (4-nitrophenyl)-, hexyl ester
Property Insights of Carbamic acid, (4-nitrophenyl)-, hexyl ester
The XLogP value of 4.2 indicates that Carbamic acid, (4-nitrophenyl)-, hexyl ester 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 Carbamic acid, (4-nitrophenyl)-, hexyl ester. Following Lipinski's Rule of Five, Carbamic acid, (4-nitrophenyl)-, hexyl ester 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 Carbamic acid, (4-nitrophenyl)-, hexyl ester?
The CAS number of Carbamic acid, (4-nitrophenyl)-, hexyl ester is 87458-01-3.
What is the molecular formula of Carbamic acid, (4-nitrophenyl)-, hexyl ester?
The molecular formula of Carbamic acid, (4-nitrophenyl)-, hexyl ester is C13H18N2O4.
What is the molecular weight of Carbamic acid, (4-nitrophenyl)-, hexyl ester?
The molecular weight of Carbamic acid, (4-nitrophenyl)-, hexyl ester is 266.13 g/mol.
Where can I buy Carbamic acid, (4-nitrophenyl)-, hexyl ester?
You can request a quote for Carbamic acid, (4-nitrophenyl)-, hexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, (4-nitrophenyl)-, hexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (4-nitrophenyl)-, hexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.