3,3-Dichlorobutanoic acid, methyl ester
TL;DR: 3,3-Dichlorobutanoic acid, methyl ester (CAS 30693-79-9) is a chemical compound with molecular formula C5H8Cl2O2 and molecular weight 169.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,3-dichlorobutanoate
Also Known As: methyl 3,3-dichlorobutanoate, dichloro-ethyl methane acetate, 3,3-Dichlorobutanoic acid, methyl ester
| Molecular Formula | C5H8Cl2O2 |
|---|---|
| Molecular Weight | 169.99 g/mol |
| LogP | 1.7433 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.99013 |
| Heavy Atoms | 9 |
| Complexity | 106.01585 |
Chemical Identifiers
| CAS Number | 30693-79-9 |
|---|---|
| SMILES | CC(CC(=O)OC)(Cl)Cl |
Product Overview
3,3-Dichlorobutanoic acid, methyl ester (CAS 30693-79-9), with molecular formula C5H8Cl2O2 and molecular weight 169.99 g/mol. IUPAC: methyl 3,3-dichlorobutanoate.
Chemical Property Profile of 3,3-Dichlorobutanoic acid, methyl ester
Property Insights of 3,3-Dichlorobutanoic acid, methyl ester
The XLogP value of 1.7433 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dichlorobutanoic acid, methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 3,3-Dichlorobutanoic acid, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dichlorobutanoic acid, methyl ester 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 3,3-Dichlorobutanoic acid, methyl ester?
The CAS number of 3,3-Dichlorobutanoic acid, methyl ester is 30693-79-9.
What is the molecular formula of 3,3-Dichlorobutanoic acid, methyl ester?
The molecular formula of 3,3-Dichlorobutanoic acid, methyl ester is C5H8Cl2O2.
What is the molecular weight of 3,3-Dichlorobutanoic acid, methyl ester?
The molecular weight of 3,3-Dichlorobutanoic acid, methyl ester is 169.99 g/mol.
Where can I buy 3,3-Dichlorobutanoic acid, methyl ester?
You can request a quote for 3,3-Dichlorobutanoic acid, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dichlorobutanoic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dichlorobutanoic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.