2-Chloroethyl 2-bromobutanoate
TL;DR: 2-Chloroethyl 2-bromobutanoate (CAS 6279-19-2) is a chemical compound with molecular formula C6H10BrClO2 and molecular weight 227.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl 2-bromobutanoate
Also Known As: 2-chloroethyl 2-bromobutanoate, ((Amino(imino)methyl)(cyano)amino)methanesulfonic acid
| Molecular Formula | C6H10BrClO2 |
|---|---|
| Molecular Weight | 227.96 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 227.95528 |
| Heavy Atoms | 10 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 6279-19-2 |
|---|---|
| SMILES | CCC(C(=O)OCCCl)Br |
| InChIKey | LPBGILZUSWZKLI-UHFFFAOYSA-N |
Product Overview
2-Chloroethyl 2-bromobutanoate (CAS 6279-19-2), with molecular formula C6H10BrClO2 and molecular weight 227.96 g/mol. IUPAC: 2-chloroethyl 2-bromobutanoate.
Chemical Property Profile of 2-Chloroethyl 2-bromobutanoate
Property Insights of 2-Chloroethyl 2-bromobutanoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroethyl 2-bromobutanoate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Chloroethyl 2-bromobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyl 2-bromobutanoate has 0 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 2-Chloroethyl 2-bromobutanoate?
The CAS number of 2-Chloroethyl 2-bromobutanoate is 6279-19-2.
What is the molecular formula of 2-Chloroethyl 2-bromobutanoate?
The molecular formula of 2-Chloroethyl 2-bromobutanoate is C6H10BrClO2.
What is the molecular weight of 2-Chloroethyl 2-bromobutanoate?
The molecular weight of 2-Chloroethyl 2-bromobutanoate is 227.96 g/mol.
Where can I buy 2-Chloroethyl 2-bromobutanoate?
You can request a quote for 2-Chloroethyl 2-bromobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroethyl 2-bromobutanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl 2-bromobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.