Carbamic acid, (2-chloroethyl)nitroso-, methyl ester
TL;DR: Carbamic acid, (2-chloroethyl)nitroso-, methyl ester (CAS 13589-15-6) is a chemical compound with molecular formula C4H7ClN2O3 and molecular weight 166.01453 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl N-(2-chloroethyl)-N-nitrosocarbamate
Also Known As: methyl N-(2-chloroethyl)-N-nitrosocarbamate, TL 186, Carbamic acid, methyl ester, methyl (2-chloroethyl)nitrosocarbamate, Methyl N-(beta-chloroethyl)-N-nitrosocarbamate
Technical Specifications
| Molecular Formula | C4H7ClN2O3 |
| Molecular Weight | 166.01453 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.01453 Da |
| Heavy Atoms | 10 |
| Complexity | 130.0 |
| SMILES | COC(=O)N(CCCl)N=O |
| InChIKey | ZIVWROYTZSSKDC-UHFFFAOYSA-N |
Chemical Property Profile of Carbamic acid, (2-chloroethyl)nitroso-, methyl ester
Property Insights of Carbamic acid, (2-chloroethyl)nitroso-, methyl ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, (2-chloroethyl)nitroso-, methyl ester. With a topological polar surface area (TPSA) of 59.0 Ų, Carbamic acid, (2-chloroethyl)nitroso-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, (2-chloroethyl)nitroso-, methyl ester has 0 hydrogen bond donor(s) and 4 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-, methyl ester?
The CAS number of Carbamic acid, (2-chloroethyl)nitroso-, methyl ester is 13589-15-6.
What is the molecular formula of Carbamic acid, (2-chloroethyl)nitroso-, methyl ester?
The molecular formula of Carbamic acid, (2-chloroethyl)nitroso-, methyl ester is C4H7ClN2O3.
What is the molecular weight of Carbamic acid, (2-chloroethyl)nitroso-, methyl ester?
The molecular weight of Carbamic acid, (2-chloroethyl)nitroso-, methyl ester is 166.01453 g/mol.
Where can I buy Carbamic acid, (2-chloroethyl)nitroso-, methyl ester?
You can request a quote for Carbamic acid, (2-chloroethyl)nitroso-, methyl 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-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Carbamic acid, (2-chloroethyl)nitroso-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.