Carbamic acid, (4-nitrophenyl)-, pentyl ester
TL;DR: Carbamic acid, (4-nitrophenyl)-, pentyl ester (CAS 90429-36-0) is a chemical compound with molecular formula C12H16N2O4 and molecular weight 252.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl N-(4-nitrophenyl)carbamate
Also Known As: pentyl N-(4-nitrophenyl)carbamate, Pentyl (4-nitrophenyl)carbamate, p-Nitro carbanilic acid, n-pentyl ester, Carbamic acid, (4-nitrophenyl)-, pentyl ester, (4-nitro-phenyl)-carbamic acid pentyl ester
| Molecular Formula | C12H16N2O4 |
|---|---|
| Molecular Weight | 252.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 252.11101 |
| Heavy Atoms | 18 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 90429-36-0 |
|---|---|
| SMILES | CCCCCOC(=O)NC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | PAXRUOYAZXQGOI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamic acid, (4-nitrophenyl)-, pentyl ester (CAS 90429-36-0), with molecular formula C12H16N2O4 and molecular weight 252.11 g/mol. IUPAC: pentyl N-(4-nitrophenyl)carbamate.
Chemical Property Profile of Carbamic acid, (4-nitrophenyl)-, pentyl ester
Property Insights of Carbamic acid, (4-nitrophenyl)-, pentyl ester
The XLogP value of 3.6 indicates that Carbamic acid, (4-nitrophenyl)-, pentyl 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)-, pentyl ester. Following Lipinski's Rule of Five, Carbamic acid, (4-nitrophenyl)-, pentyl 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)-, pentyl ester?
The CAS number of Carbamic acid, (4-nitrophenyl)-, pentyl ester is 90429-36-0.
What is the molecular formula of Carbamic acid, (4-nitrophenyl)-, pentyl ester?
The molecular formula of Carbamic acid, (4-nitrophenyl)-, pentyl ester is C12H16N2O4.
What is the molecular weight of Carbamic acid, (4-nitrophenyl)-, pentyl ester?
The molecular weight of Carbamic acid, (4-nitrophenyl)-, pentyl ester is 252.11 g/mol.
Where can I buy Carbamic acid, (4-nitrophenyl)-, pentyl ester?
You can request a quote for Carbamic acid, (4-nitrophenyl)-, pentyl 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)-, pentyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (4-nitrophenyl)-, pentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.