propyl N-(2-bromoethyl)carbamate
TL;DR: propyl N-(2-bromoethyl)carbamate (CAS 98280-57-0) is a chemical compound with molecular formula C6H12BrNO2 and molecular weight 209.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl N-(2-bromoethyl)carbamate
Also Known As: propyl N-(2-bromoethyl)carbamate, (2-bromo-ethyl)-carbamic acid propyl ester
| Molecular Formula | C6H12BrNO2 |
|---|---|
| Molecular Weight | 209.01 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 209.00514 |
| Heavy Atoms | 10 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 98280-57-0 |
|---|---|
| SMILES | CCCOC(=O)NCCBr |
| InChIKey | CENRWABURXCPBU-UHFFFAOYSA-N |
Product Overview
propyl N-(2-bromoethyl)carbamate (CAS 98280-57-0), with molecular formula C6H12BrNO2 and molecular weight 209.01 g/mol. IUPAC: propyl N-(2-bromoethyl)carbamate.
Chemical Property Profile of propyl N-(2-bromoethyl)carbamate
Property Insights of propyl N-(2-bromoethyl)carbamate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for propyl N-(2-bromoethyl)carbamate. With a topological polar surface area (TPSA) of 38.3 Ų, propyl N-(2-bromoethyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, propyl N-(2-bromoethyl)carbamate has 1 hydrogen bond donor(s) and 2 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 propyl N-(2-bromoethyl)carbamate?
The CAS number of propyl N-(2-bromoethyl)carbamate is 98280-57-0.
What is the molecular formula of propyl N-(2-bromoethyl)carbamate?
The molecular formula of propyl N-(2-bromoethyl)carbamate is C6H12BrNO2.
What is the molecular weight of propyl N-(2-bromoethyl)carbamate?
The molecular weight of propyl N-(2-bromoethyl)carbamate is 209.01 g/mol.
Where can I buy propyl N-(2-bromoethyl)carbamate?
You can request a quote for propyl N-(2-bromoethyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for propyl N-(2-bromoethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for propyl N-(2-bromoethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.