2-methylpropyl N-(2-chloroethyl)-N-nitrosocarbamate
TL;DR: 2-methylpropyl N-(2-chloroethyl)-N-nitrosocarbamate (CAS 10182-51-1) is a chemical compound with molecular formula C7H13ClN2O3 and molecular weight 208.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl N-(2-chloroethyl)-N-nitrosocarbamate
Also Known As: Isobutyl-N-chloroethyl-N-nitrosocarbamate, 2-methylpropyl N-(2-chloroethyl)-N-nitrosocarbamate, 2-Methylpropyl (2-chloroethyl)(nitroso)carbamate, Carbamic acid,(2-chloroethyl)nitroso-, 2-methylpropyl ester (9ci)
| Molecular Formula | C7H13ClN2O3 |
|---|---|
| Molecular Weight | 208.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.06146 |
| Heavy Atoms | 13 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 10182-51-1 |
|---|---|
| SMILES | CC(C)COC(=O)N(CCCl)N=O |
| InChIKey | HKPYVZWGPKHGCV-UHFFFAOYSA-N |
Product Overview
2-methylpropyl N-(2-chloroethyl)-N-nitrosocarbamate (CAS 10182-51-1), with molecular formula C7H13ClN2O3 and molecular weight 208.06 g/mol. IUPAC: 2-methylpropyl N-(2-chloroethyl)-N-nitrosocarbamate.
Chemical Property Profile of 2-methylpropyl N-(2-chloroethyl)-N-nitrosocarbamate
Property Insights of 2-methylpropyl N-(2-chloroethyl)-N-nitrosocarbamate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methylpropyl N-(2-chloroethyl)-N-nitrosocarbamate. With a topological polar surface area (TPSA) of 59.0 Ų, 2-methylpropyl N-(2-chloroethyl)-N-nitrosocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methylpropyl N-(2-chloroethyl)-N-nitrosocarbamate 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
Frequently Asked Questions
What is the CAS number of 2-methylpropyl N-(2-chloroethyl)-N-nitrosocarbamate?
The CAS number of 2-methylpropyl N-(2-chloroethyl)-N-nitrosocarbamate is 10182-51-1.
What is the molecular formula of 2-methylpropyl N-(2-chloroethyl)-N-nitrosocarbamate?
The molecular formula of 2-methylpropyl N-(2-chloroethyl)-N-nitrosocarbamate is C7H13ClN2O3.
What is the molecular weight of 2-methylpropyl N-(2-chloroethyl)-N-nitrosocarbamate?
The molecular weight of 2-methylpropyl N-(2-chloroethyl)-N-nitrosocarbamate is 208.06 g/mol.
Where can I buy 2-methylpropyl N-(2-chloroethyl)-N-nitrosocarbamate?
You can request a quote for 2-methylpropyl N-(2-chloroethyl)-N-nitrosocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methylpropyl N-(2-chloroethyl)-N-nitrosocarbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-methylpropyl N-(2-chloroethyl)-N-nitrosocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.