对硝基苯胺基甲酸2-氯乙酯
TL;DR: 对硝基苯胺基甲酸2-氯乙酯 (CAS 60480-06-0) is a chemical compound with molecular formula C9H9ClN2O4 and molecular weight 244.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对硝基苯胺基甲酸2-氯乙酯
2-chloroethyl N-(4-nitrophenyl)carbamate
Also Known As: 2-chloroethyl N-(4-nitrophenyl)carbamate, p-Nitrocarbanilic acid 2-chloroethyl ester, CARBANILIC ACID, p-NITRO-, 2-CHLOROETHYL ESTER, 2-chloroethyl (4-nitrophenyl)carbamate, Carbamic acid, (4-nitrophenyl)-, 2-chloroethyl ester
| Molecular Formula | C9H9ClN2O4 |
|---|---|
| Molecular Weight | 244.03 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.02509 |
| Heavy Atoms | 16 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 60480-06-0 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)OCCCl)[N+](=O)[O-] |
| InChIKey | COEVUZLBFRTZAQ-UHFFFAOYSA-N |
Product Overview
对硝基苯胺基甲酸2-氯乙酯 (CAS 60480-06-0), with molecular formula C9H9ClN2O4 and molecular weight 244.03 g/mol. IUPAC: 2-chloroethyl N-(4-nitrophenyl)carbamate.
Chemical Property Profile of 对硝基苯胺基甲酸2-氯乙酯
Property Insights of 对硝基苯胺基甲酸2-氯乙酯
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 对硝基苯胺基甲酸2-氯乙酯. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 对硝基苯胺基甲酸2-氯乙酯. Following Lipinski's Rule of Five, 对硝基苯胺基甲酸2-氯乙酯 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 对硝基苯胺基甲酸2-氯乙酯?
The CAS number of 对硝基苯胺基甲酸2-氯乙酯 is 60480-06-0.
What is the molecular formula of 对硝基苯胺基甲酸2-氯乙酯?
The molecular formula of 对硝基苯胺基甲酸2-氯乙酯 is C9H9ClN2O4.
What is the molecular weight of 对硝基苯胺基甲酸2-氯乙酯?
The molecular weight of 对硝基苯胺基甲酸2-氯乙酯 is 244.03 g/mol.
Where can I buy 对硝基苯胺基甲酸2-氯乙酯?
You can request a quote for 对硝基苯胺基甲酸2-氯乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对硝基苯胺基甲酸2-氯乙酯?
Yes, KEHONG BIO provides custom synthesis services for 对硝基苯胺基甲酸2-氯乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.