Octyl 2,4-dichloro-3-oxobutyrate
TL;DR: Octyl 2,4-dichloro-3-oxobutyrate (CAS 85153-49-7) is a chemical compound with molecular formula C12H20Cl2O3 and molecular weight 282.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 2,4-dichloro-3-oxobutanoate
Also Known As: Octyl 2,4-dichloro-3-oxobutyrate, octyl 2,4-dichloro-3-oxobutanoate, octyl2,4-dichloro-3-oxobutyrate, EINECS 285-830-3, 2,4-Dichloro-3-oxobutanoic acid octyl ester
| Molecular Formula | C12H20Cl2O3 |
|---|---|
| Molecular Weight | 282.08 g/mol |
| LogP | 3.3054 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 282.07895 |
| Heavy Atoms | 17 |
| Complexity | 231.79063 |
Chemical Identifiers
| CAS Number | 85153-49-7 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C(C(=O)CCl)Cl |
Product Overview
Octyl 2,4-dichloro-3-oxobutyrate (CAS 85153-49-7), with molecular formula C12H20Cl2O3 and molecular weight 282.08 g/mol. IUPAC: octyl 2,4-dichloro-3-oxobutanoate.
Chemical Property Profile of Octyl 2,4-dichloro-3-oxobutyrate
Property Insights of Octyl 2,4-dichloro-3-oxobutyrate
The XLogP value of 3.3054 indicates that Octyl 2,4-dichloro-3-oxobutyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, Octyl 2,4-dichloro-3-oxobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl 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 Octyl 2,4-dichloro-3-oxobutyrate?
The CAS number of Octyl 2,4-dichloro-3-oxobutyrate is 85153-49-7.
What is the molecular formula of Octyl 2,4-dichloro-3-oxobutyrate?
The molecular formula of Octyl 2,4-dichloro-3-oxobutyrate is C12H20Cl2O3.
What is the molecular weight of Octyl 2,4-dichloro-3-oxobutyrate?
The molecular weight of Octyl 2,4-dichloro-3-oxobutyrate is 282.08 g/mol.
Where can I buy Octyl 2,4-dichloro-3-oxobutyrate?
You can request a quote for Octyl 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 Octyl 2,4-dichloro-3-oxobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Octyl 2,4-dichloro-3-oxobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.