Propyl 2,4-dichloro-3-oxobutyrate
TL;DR: Propyl 2,4-dichloro-3-oxobutyrate (CAS 85153-46-4) is a chemical compound with molecular formula C7H10Cl2O3 and molecular weight 212.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2,4-dichloro-3-oxobutanoate
Also Known As: Propyl 2,4-dichloro-3-oxobutyrate, propyl 2,4-dichloro-3-oxobutanoate, EINECS 285-827-7, 2,4-Dichloro-3-oxobutanoic acid propyl ester, Butanoic acid, 2,4-dichloro-3-oxo-, propyl ester
| Molecular Formula | C7H10Cl2O3 |
|---|---|
| Molecular Weight | 212.00 g/mol |
| LogP | 1.3549 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 212.0007 |
| Heavy Atoms | 12 |
| Complexity | 170.03442 |
Chemical Identifiers
| CAS Number | 85153-46-4 |
|---|---|
| SMILES | CCCOC(=O)C(C(=O)CCl)Cl |
Product Overview
Propyl 2,4-dichloro-3-oxobutyrate (CAS 85153-46-4), with molecular formula C7H10Cl2O3 and molecular weight 212.00 g/mol. IUPAC: propyl 2,4-dichloro-3-oxobutanoate.
Chemical Property Profile of Propyl 2,4-dichloro-3-oxobutyrate
Property Insights of Propyl 2,4-dichloro-3-oxobutyrate
The XLogP value of 1.3549 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl 2,4-dichloro-3-oxobutyrate. With a topological polar surface area (TPSA) of 43.37 Ų, Propyl 2,4-dichloro-3-oxobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 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 Propyl 2,4-dichloro-3-oxobutyrate?
The CAS number of Propyl 2,4-dichloro-3-oxobutyrate is 85153-46-4.
What is the molecular formula of Propyl 2,4-dichloro-3-oxobutyrate?
The molecular formula of Propyl 2,4-dichloro-3-oxobutyrate is C7H10Cl2O3.
What is the molecular weight of Propyl 2,4-dichloro-3-oxobutyrate?
The molecular weight of Propyl 2,4-dichloro-3-oxobutyrate is 212.00 g/mol.
Where can I buy Propyl 2,4-dichloro-3-oxobutyrate?
You can request a quote for Propyl 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 Propyl 2,4-dichloro-3-oxobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 2,4-dichloro-3-oxobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.