tert-Butyl 2,4-dichloro-3-oxobutyrate
TL;DR: tert-Butyl 2,4-dichloro-3-oxobutyrate (CAS 85153-48-6) is a chemical compound with molecular formula C8H12Cl2O3 and molecular weight 226.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2,4-dichloro-3-oxobutanoate
Also Known As: tert-Butyl 2,4-dichloro-3-oxobutyrate, EINECS 285-829-8, tert-butyl 2,4-dichloro-3-oxobutanoate, 3-Oxo-2,4-dichlorobutyric acid tert-butyl ester, 2,4-Dichloro-3-oxobutanoic acid 1,1-dimethylethyl ester
| Molecular Formula | C8H12Cl2O3 |
|---|---|
| Molecular Weight | 226.02 g/mol |
| LogP | 1.7434 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.01634 |
| Heavy Atoms | 13 |
| Complexity | 207.9249 |
Chemical Identifiers
| CAS Number | 85153-48-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C(C(=O)CCl)Cl |
Product Overview
tert-Butyl 2,4-dichloro-3-oxobutyrate (CAS 85153-48-6), with molecular formula C8H12Cl2O3 and molecular weight 226.02 g/mol. IUPAC: tert-butyl 2,4-dichloro-3-oxobutanoate.
Chemical Property Profile of tert-Butyl 2,4-dichloro-3-oxobutyrate
Property Insights of tert-Butyl 2,4-dichloro-3-oxobutyrate
The XLogP value of 1.7434 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl 2,4-dichloro-3-oxobutyrate. With a topological polar surface area (TPSA) of 43.37 Ų, tert-Butyl 2,4-dichloro-3-oxobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl 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 tert-Butyl 2,4-dichloro-3-oxobutyrate?
The CAS number of tert-Butyl 2,4-dichloro-3-oxobutyrate is 85153-48-6.
What is the molecular formula of tert-Butyl 2,4-dichloro-3-oxobutyrate?
The molecular formula of tert-Butyl 2,4-dichloro-3-oxobutyrate is C8H12Cl2O3.
What is the molecular weight of tert-Butyl 2,4-dichloro-3-oxobutyrate?
The molecular weight of tert-Butyl 2,4-dichloro-3-oxobutyrate is 226.02 g/mol.
Where can I buy tert-Butyl 2,4-dichloro-3-oxobutyrate?
You can request a quote for tert-Butyl 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 tert-Butyl 2,4-dichloro-3-oxobutyrate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 2,4-dichloro-3-oxobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.