methyl N-(2-bromoethyl)-N-nitrosocarbamate
TL;DR: methyl N-(2-bromoethyl)-N-nitrosocarbamate (CAS 13589-14-5) is a chemical compound with molecular formula C4H7BrN2O3 and molecular weight 209.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(2-bromoethyl)-N-nitrosocarbamate
Also Known As: methyl N-(2-bromoethyl)-N-nitrosocarbamate, Methyl (2-bromoethyl)nitrosocarbamate, NIOSH/EY9758300, Methyl (2-bromoethyl)(nitroso)carbamate, N-(2-Bromoethyl)-N-nitrosocarbamic acid methyl ester
| Molecular Formula | C4H7BrN2O3 |
|---|---|
| Molecular Weight | 209.96 g/mol |
| LogP | 1.1311 |
| Topological Polar Surface Area | 58.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.964 |
| Heavy Atoms | 10 |
| Complexity | 129.67111 |
Chemical Identifiers
| CAS Number | 13589-14-5 |
|---|---|
| SMILES | COC(=O)N(CCBr)N=O |
Product Overview
methyl N-(2-bromoethyl)-N-nitrosocarbamate (CAS 13589-14-5), with molecular formula C4H7BrN2O3 and molecular weight 209.96 g/mol. IUPAC: methyl N-(2-bromoethyl)-N-nitrosocarbamate.
Chemical Property Profile of methyl N-(2-bromoethyl)-N-nitrosocarbamate
Property Insights of methyl N-(2-bromoethyl)-N-nitrosocarbamate
The XLogP value of 1.1311 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-(2-bromoethyl)-N-nitrosocarbamate. With a topological polar surface area (TPSA) of 58.97 Ų, methyl N-(2-bromoethyl)-N-nitrosocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N-(2-bromoethyl)-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 methyl N-(2-bromoethyl)-N-nitrosocarbamate?
The CAS number of methyl N-(2-bromoethyl)-N-nitrosocarbamate is 13589-14-5.
What is the molecular formula of methyl N-(2-bromoethyl)-N-nitrosocarbamate?
The molecular formula of methyl N-(2-bromoethyl)-N-nitrosocarbamate is C4H7BrN2O3.
What is the molecular weight of methyl N-(2-bromoethyl)-N-nitrosocarbamate?
The molecular weight of methyl N-(2-bromoethyl)-N-nitrosocarbamate is 209.96 g/mol.
Where can I buy methyl N-(2-bromoethyl)-N-nitrosocarbamate?
You can request a quote for methyl N-(2-bromoethyl)-N-nitrosocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-(2-bromoethyl)-N-nitrosocarbamate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(2-bromoethyl)-N-nitrosocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.