Methyl 3,4-dichlorobutanoate
TL;DR: Methyl 3,4-dichlorobutanoate (CAS 819-93-2) 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 3,4-dichlorobutanoate
Also Known As: Methyl 3,4-dichlorobutanoate, Butanoic acid, 3,4-dichloro-, methyl ester, RefChem:354524
| Molecular Formula | C5H8Cl2O2 |
|---|---|
| Molecular Weight | 169.99 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 169.99013 |
| Heavy Atoms | 9 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 819-93-2 |
|---|---|
| SMILES | COC(=O)CC(CCl)Cl |
| InChIKey | DVXYQNCRDDPGKM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3,4-dichlorobutanoate (CAS 819-93-2), with molecular formula C5H8Cl2O2 and molecular weight 169.99 g/mol. IUPAC: methyl 3,4-dichlorobutanoate.
Chemical Property Profile of Methyl 3,4-dichlorobutanoate
Property Insights of Methyl 3,4-dichlorobutanoate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,4-dichlorobutanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3,4-dichlorobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3,4-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 3,4-dichlorobutanoate?
The CAS number of Methyl 3,4-dichlorobutanoate is 819-93-2.
What is the molecular formula of Methyl 3,4-dichlorobutanoate?
The molecular formula of Methyl 3,4-dichlorobutanoate is C5H8Cl2O2.
What is the molecular weight of Methyl 3,4-dichlorobutanoate?
The molecular weight of Methyl 3,4-dichlorobutanoate is 169.99 g/mol.
Where can I buy Methyl 3,4-dichlorobutanoate?
You can request a quote for Methyl 3,4-dichlorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,4-dichlorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,4-dichlorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.