丙-2-基 N-(2-甲氧基-5-硝基苯基)氨基甲酸酯
TL;DR: 丙-2-基 N-(2-甲氧基-5-硝基苯基)氨基甲酸酯 (CAS 71172-23-1) is a chemical compound with molecular formula C11H14N2O5 and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙-2-基 N-(2-甲氧基-5-硝基苯基)氨基甲酸酯
propan-2-yl N-(2-methoxy-5-nitrophenyl)carbamate
Also Known As: n-butyryl anthranilic acid, isopropyl (2-methoxy-5-nitrophenyl)carbamate, propan-2-yl(2-methoxy-5-nitrophenyl)carbamate, propan-2-yl N-(2-methoxy-5-nitrophenyl)carbamate, Propan-2-yl hydrogen (2-methoxy-5-nitrophenyl)carbonimidate
| Molecular Formula | C11H14N2O5 |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 93.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.09027 |
| Heavy Atoms | 18 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 71172-23-1 |
|---|---|
| SMILES | CC(C)OC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC |
| InChIKey | KUDVVCYZBYADNX-UHFFFAOYSA-N |
Product Overview
丙-2-基 N-(2-甲氧基-5-硝基苯基)氨基甲酸酯 (CAS 71172-23-1), with molecular formula C11H14N2O5 and molecular weight 254.09 g/mol. IUPAC: propan-2-yl N-(2-methoxy-5-nitrophenyl)carbamate.
Chemical Property Profile of 丙-2-基 N-(2-甲氧基-5-硝基苯基)氨基甲酸酯
Property Insights of 丙-2-基 N-(2-甲氧基-5-硝基苯基)氨基甲酸酯
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丙-2-基 N-(2-甲氧基-5-硝基苯基)氨基甲酸酯. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 丙-2-基 N-(2-甲氧基-5-硝基苯基)氨基甲酸酯. Following Lipinski's Rule of Five, 丙-2-基 N-(2-甲氧基-5-硝基苯基)氨基甲酸酯 has 1 hydrogen bond donor(s) and 5 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 丙-2-基 N-(2-甲氧基-5-硝基苯基)氨基甲酸酯?
The CAS number of 丙-2-基 N-(2-甲氧基-5-硝基苯基)氨基甲酸酯 is 71172-23-1.
What is the molecular formula of 丙-2-基 N-(2-甲氧基-5-硝基苯基)氨基甲酸酯?
The molecular formula of 丙-2-基 N-(2-甲氧基-5-硝基苯基)氨基甲酸酯 is C11H14N2O5.
What is the molecular weight of 丙-2-基 N-(2-甲氧基-5-硝基苯基)氨基甲酸酯?
The molecular weight of 丙-2-基 N-(2-甲氧基-5-硝基苯基)氨基甲酸酯 is 254.09 g/mol.
Where can I buy 丙-2-基 N-(2-甲氧基-5-硝基苯基)氨基甲酸酯?
You can request a quote for 丙-2-基 N-(2-甲氧基-5-硝基苯基)氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙-2-基 N-(2-甲氧基-5-硝基苯基)氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 丙-2-基 N-(2-甲氧基-5-硝基苯基)氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.