Carbamic acid, (2-chloroethyl)nitroso-, 4-nitrophenyl ester
TL;DR: Carbamic acid, (2-chloroethyl)nitroso-, 4-nitrophenyl ester (CAS 55661-43-3) is a chemical compound with molecular formula C9H8ClN3O5 and molecular weight 273.01526 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-nitrophenyl) N-(2-chloroethyl)-N-nitrosocarbamate
Also Known As: NPCEC, 4-Nitrophenyl-N-(2-chloroethyl)carbamate, ICIG 1733, (4-nitrophenyl) N-(2-chloroethyl)-N-nitrosocarbamate, 4-Nitrophenyl (2-chloroethyl)(nitroso)carbamate
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H8ClN3O5 |
| Molecular Weight | 273.01526 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.01526 Da |
| Heavy Atoms | 18 |
| Complexity | 314.0 |
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC(=O)N(CCCl)N=O |
| InChIKey | DAJARBUJEJVGDQ-UHFFFAOYSA-N |
Chemical Property Profile of Carbamic acid, (2-chloroethyl)nitroso-, 4-nitrophenyl ester
Property Insights of Carbamic acid, (2-chloroethyl)nitroso-, 4-nitrophenyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, (2-chloroethyl)nitroso-, 4-nitrophenyl ester. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, (2-chloroethyl)nitroso-, 4-nitrophenyl ester. Following Lipinski's Rule of Five, Carbamic acid, (2-chloroethyl)nitroso-, 4-nitrophenyl ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Carbamic acid, (2-chloroethyl)nitroso-, 4-nitrophenyl ester?
The CAS number of Carbamic acid, (2-chloroethyl)nitroso-, 4-nitrophenyl ester is 55661-43-3.
What is the molecular formula of Carbamic acid, (2-chloroethyl)nitroso-, 4-nitrophenyl ester?
The molecular formula of Carbamic acid, (2-chloroethyl)nitroso-, 4-nitrophenyl ester is C9H8ClN3O5.
What is the molecular weight of Carbamic acid, (2-chloroethyl)nitroso-, 4-nitrophenyl ester?
The molecular weight of Carbamic acid, (2-chloroethyl)nitroso-, 4-nitrophenyl ester is 273.01526 g/mol.
Where can I buy Carbamic acid, (2-chloroethyl)nitroso-, 4-nitrophenyl ester?
You can request a quote for Carbamic acid, (2-chloroethyl)nitroso-, 4-nitrophenyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbamic acid, (2-chloroethyl)nitroso-, 4-nitrophenyl ester?
Yes, CoreyChem provides custom synthesis services for Carbamic acid, (2-chloroethyl)nitroso-, 4-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.