Methyl 2,4-dichloro-3-oxobutyrate
TL;DR: Methyl 2,4-dichloro-3-oxobutyrate (CAS 4877-84-3) is a chemical compound with molecular formula C5H6Cl2O3 and molecular weight 183.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,4-dichloro-3-oxobutanoate
Also Known As: methyl 2,4-dichloro-3-oxobutanoate, Methyl 2,4-dichloro-3-oxobutyrate, methyl2,4-dichloro-3-oxobutyrate, 2,4-Dichloro-3-oxobutyric acid methyl ester, Butanoic acid,2,4-dichloro-3-oxo-, methyl ester
| Molecular Formula | C5H6Cl2O3 |
|---|---|
| Molecular Weight | 183.97 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 183.9694 |
| Heavy Atoms | 10 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 4877-84-3 |
|---|---|
| SMILES | COC(=O)C(C(=O)CCl)Cl |
| InChIKey | UTBKSYHAYRTIIN-UHFFFAOYSA-N |
Product Overview
Methyl 2,4-dichloro-3-oxobutyrate (CAS 4877-84-3), with molecular formula C5H6Cl2O3 and molecular weight 183.97 g/mol. IUPAC: methyl 2,4-dichloro-3-oxobutanoate.
Chemical Property Profile of Methyl 2,4-dichloro-3-oxobutyrate
Property Insights of Methyl 2,4-dichloro-3-oxobutyrate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,4-dichloro-3-oxobutyrate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 2,4-dichloro-3-oxobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,4-dichloro-3-oxobutyrate has 0 hydrogen bond donor(s) and 3 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 2,4-dichloro-3-oxobutyrate?
The CAS number of Methyl 2,4-dichloro-3-oxobutyrate is 4877-84-3.
What is the molecular formula of Methyl 2,4-dichloro-3-oxobutyrate?
The molecular formula of Methyl 2,4-dichloro-3-oxobutyrate is C5H6Cl2O3.
What is the molecular weight of Methyl 2,4-dichloro-3-oxobutyrate?
The molecular weight of Methyl 2,4-dichloro-3-oxobutyrate is 183.97 g/mol.
Where can I buy Methyl 2,4-dichloro-3-oxobutyrate?
You can request a quote for Methyl 2,4-dichloro-3-oxobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,4-dichloro-3-oxobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,4-dichloro-3-oxobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.