Methyl 2,3-dichloro-3-phenylpropanoate
TL;DR: Methyl 2,3-dichloro-3-phenylpropanoate (CAS 35115-84-5) is a chemical compound with molecular formula C10H10Cl2O2 and molecular weight 232.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,3-dichloro-3-phenylpropanoate
Also Known As: methyl 2,3-dichloro-3-phenylpropanoate, J1.150.386A, 2,3-Dichlor-3-phenyl-propionsaeure-methylester, METHYL 2,3-DICHLORO-3-PHENYL-PROPANOATE, 2,3-Dichloro-3-phenylpropionic acid methyl ester
| Molecular Formula | C10H10Cl2O2 |
|---|---|
| Molecular Weight | 232.01 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.00578 |
| Heavy Atoms | 14 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 35115-84-5 |
|---|---|
| SMILES | COC(=O)C(C(C1=CC=CC=C1)Cl)Cl |
| InChIKey | YOWWUZLQXXBDBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2,3-dichloro-3-phenylpropanoate (CAS 35115-84-5), with molecular formula C10H10Cl2O2 and molecular weight 232.01 g/mol. IUPAC: methyl 2,3-dichloro-3-phenylpropanoate.
Chemical Property Profile of Methyl 2,3-dichloro-3-phenylpropanoate
Property Insights of Methyl 2,3-dichloro-3-phenylpropanoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,3-dichloro-3-phenylpropanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2,3-dichloro-3-phenylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,3-dichloro-3-phenylpropanoate has 0 hydrogen bond donor(s) and 2 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 2,3-dichloro-3-phenylpropanoate?
The CAS number of Methyl 2,3-dichloro-3-phenylpropanoate is 35115-84-5.
What is the molecular formula of Methyl 2,3-dichloro-3-phenylpropanoate?
The molecular formula of Methyl 2,3-dichloro-3-phenylpropanoate is C10H10Cl2O2.
What is the molecular weight of Methyl 2,3-dichloro-3-phenylpropanoate?
The molecular weight of Methyl 2,3-dichloro-3-phenylpropanoate is 232.01 g/mol.
Where can I buy Methyl 2,3-dichloro-3-phenylpropanoate?
You can request a quote for Methyl 2,3-dichloro-3-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,3-dichloro-3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,3-dichloro-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.