Methyl 3-bromo-2,2-dichlorobutanoate
TL;DR: Methyl 3-bromo-2,2-dichlorobutanoate (CAS 89294-81-5) is a chemical compound with molecular formula C5H7BrCl2O2 and molecular weight 247.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-bromo-2,2-dichlorobutanoate
Also Known As: Methyl 3-bromo-2,2-dichlorobutanoate, Methy 3-bromo-2,2-dichloro-butyrate, Methyl 3-bromo-2,2-dichlorobutanoate #, Butanoic acid, 3-bromo-2,2-dichloro-, methyl ester, RefChem:354881
| Molecular Formula | C5H7BrCl2O2 |
|---|---|
| Molecular Weight | 247.90 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.90065 |
| Heavy Atoms | 10 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 89294-81-5 |
|---|---|
| SMILES | CC(C(C(=O)OC)(Cl)Cl)Br |
| InChIKey | PDJGXHKAMQLCNP-UHFFFAOYSA-N |
Product Overview
Methyl 3-bromo-2,2-dichlorobutanoate (CAS 89294-81-5), with molecular formula C5H7BrCl2O2 and molecular weight 247.90 g/mol. IUPAC: methyl 3-bromo-2,2-dichlorobutanoate.
Chemical Property Profile of Methyl 3-bromo-2,2-dichlorobutanoate
Property Insights of Methyl 3-bromo-2,2-dichlorobutanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-bromo-2,2-dichlorobutanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3-bromo-2,2-dichlorobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-bromo-2,2-dichlorobutanoate 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 Methyl 3-bromo-2,2-dichlorobutanoate?
The CAS number of Methyl 3-bromo-2,2-dichlorobutanoate is 89294-81-5.
What is the molecular formula of Methyl 3-bromo-2,2-dichlorobutanoate?
The molecular formula of Methyl 3-bromo-2,2-dichlorobutanoate is C5H7BrCl2O2.
What is the molecular weight of Methyl 3-bromo-2,2-dichlorobutanoate?
The molecular weight of Methyl 3-bromo-2,2-dichlorobutanoate is 247.90 g/mol.
Where can I buy Methyl 3-bromo-2,2-dichlorobutanoate?
You can request a quote for Methyl 3-bromo-2,2-dichlorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-bromo-2,2-dichlorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-bromo-2,2-dichlorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.