Isopropyl N-(3-nitrophenyl)carbamate
TL;DR: Isopropyl N-(3-nitrophenyl)carbamate (CAS 2610-62-0) is a chemical compound with molecular formula C10H12N2O4 and molecular weight 224.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl N-(3-nitrophenyl)carbamate
Also Known As: ISOPROPYL N-(3-NITROPHENYL)CARBAMATE, propan-2-yl N-(3-nitrophenyl)carbamate, propan-2-yl (3-nitrophenyl)carbamate, 3-Nitrocarbanilic acid isopropyl ester, AI3-22579
| Molecular Formula | C10H12N2O4 |
|---|---|
| Molecular Weight | 224.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.07971 |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 2610-62-0 |
|---|---|
| SMILES | CC(C)OC(=O)NC1=CC(=CC=C1)[N+](=O)[O-] |
| InChIKey | FLLAOLGEPZPDGF-UHFFFAOYSA-N |
Product Overview
Isopropyl N-(3-nitrophenyl)carbamate (CAS 2610-62-0), with molecular formula C10H12N2O4 and molecular weight 224.08 g/mol. IUPAC: propan-2-yl N-(3-nitrophenyl)carbamate.
Chemical Property Profile of Isopropyl N-(3-nitrophenyl)carbamate
Property Insights of Isopropyl N-(3-nitrophenyl)carbamate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl N-(3-nitrophenyl)carbamate. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Isopropyl N-(3-nitrophenyl)carbamate. Following Lipinski's Rule of Five, Isopropyl 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 Isopropyl N-(3-nitrophenyl)carbamate?
The CAS number of Isopropyl N-(3-nitrophenyl)carbamate is 2610-62-0.
What is the molecular formula of Isopropyl N-(3-nitrophenyl)carbamate?
The molecular formula of Isopropyl N-(3-nitrophenyl)carbamate is C10H12N2O4.
What is the molecular weight of Isopropyl N-(3-nitrophenyl)carbamate?
The molecular weight of Isopropyl N-(3-nitrophenyl)carbamate is 224.08 g/mol.
Where can I buy Isopropyl N-(3-nitrophenyl)carbamate?
You can request a quote for Isopropyl 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 Isopropyl N-(3-nitrophenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl N-(3-nitrophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.