3-(3,4-Dichlorophenyl)-3-oxo-propionic acid methyl ester
TL;DR: 3-(3,4-Dichlorophenyl)-3-oxo-propionic acid methyl ester (CAS 677326-67-9) is a chemical compound with molecular formula C10H8Cl2O3 and molecular weight 245.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(3,4-dichlorophenyl)-3-oxopropanoate
Also Known As: methyl 3-(3,4-dichlorophenyl)-3-oxopropanoate, 3-(3,4-Dichlorophenyl)-3-oxo-propionic acid methyl ester, 3-(3,4-dichloro-phenyl)-3-oxo-propionic acid methyl ester, methyl3-(3,4-dichlorophenyl)-3-oxopropanoate, 3-(3,4-dichlorophenyl)-3-oxo-propionic acidmethyl ester
| Molecular Formula | C10H8Cl2O3 |
|---|---|
| Molecular Weight | 245.99 g/mol |
| LogP | 2.7392 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.98505 |
| Heavy Atoms | 15 |
| Complexity | 401.65402 |
Chemical Identifiers
| CAS Number | 677326-67-9 |
|---|---|
| SMILES | COC(=O)CC(=O)C1=CC(=C(C=C1)Cl)Cl |
Product Overview
3-(3,4-Dichlorophenyl)-3-oxo-propionic acid methyl ester (CAS 677326-67-9), with molecular formula C10H8Cl2O3 and molecular weight 245.99 g/mol. IUPAC: methyl 3-(3,4-dichlorophenyl)-3-oxopropanoate.
Chemical Property Profile of 3-(3,4-Dichlorophenyl)-3-oxo-propionic acid methyl ester
Property Insights of 3-(3,4-Dichlorophenyl)-3-oxo-propionic acid methyl ester
The XLogP value of 2.7392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-Dichlorophenyl)-3-oxo-propionic acid methyl ester. With a topological polar surface area (TPSA) of 43.37 Ų, 3-(3,4-Dichlorophenyl)-3-oxo-propionic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-Dichlorophenyl)-3-oxo-propionic acid methyl ester 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 3-(3,4-Dichlorophenyl)-3-oxo-propionic acid methyl ester?
The CAS number of 3-(3,4-Dichlorophenyl)-3-oxo-propionic acid methyl ester is 677326-67-9.
What is the molecular formula of 3-(3,4-Dichlorophenyl)-3-oxo-propionic acid methyl ester?
The molecular formula of 3-(3,4-Dichlorophenyl)-3-oxo-propionic acid methyl ester is C10H8Cl2O3.
What is the molecular weight of 3-(3,4-Dichlorophenyl)-3-oxo-propionic acid methyl ester?
The molecular weight of 3-(3,4-Dichlorophenyl)-3-oxo-propionic acid methyl ester is 245.99 g/mol.
Where can I buy 3-(3,4-Dichlorophenyl)-3-oxo-propionic acid methyl ester?
You can request a quote for 3-(3,4-Dichlorophenyl)-3-oxo-propionic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-Dichlorophenyl)-3-oxo-propionic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dichlorophenyl)-3-oxo-propionic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.