1,3-Dimethyl 2-(4-chlorophenyl)propanedioate
TL;DR: 1,3-Dimethyl 2-(4-chlorophenyl)propanedioate (CAS 34402-92-1) is a chemical compound with molecular formula C11H11ClO4 and molecular weight 242.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(4-chlorophenyl)propanedioate
Also Known As: 1,3-dimethyl 2-(4-chlorophenyl)propanedioate, Dimethyl 2-(4-chlorophenyl)propanedioate, 2-(4-chlorophenyl)malonic acid dimethyl ester, Dimethyl (4-chlorophenyl)malonate, dimethyl 2-(4-chlorophenyl)malonate
| Molecular Formula | C11H11ClO4 |
|---|---|
| Molecular Weight | 242.03 g/mol |
| LogP | 1.7696 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.03459 |
| Heavy Atoms | 16 |
| Complexity | 369.47595 |
Chemical Identifiers
| CAS Number | 34402-92-1 |
|---|---|
| SMILES | COC(=O)C(C1=CC=C(C=C1)Cl)C(=O)OC |
Product Overview
1,3-Dimethyl 2-(4-chlorophenyl)propanedioate (CAS 34402-92-1), with molecular formula C11H11ClO4 and molecular weight 242.03 g/mol. IUPAC: dimethyl 2-(4-chlorophenyl)propanedioate.
Chemical Property Profile of 1,3-Dimethyl 2-(4-chlorophenyl)propanedioate
Property Insights of 1,3-Dimethyl 2-(4-chlorophenyl)propanedioate
The XLogP value of 1.7696 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl 2-(4-chlorophenyl)propanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, 1,3-Dimethyl 2-(4-chlorophenyl)propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethyl 2-(4-chlorophenyl)propanedioate has 0 hydrogen bond donor(s) and 4 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 1,3-Dimethyl 2-(4-chlorophenyl)propanedioate?
The CAS number of 1,3-Dimethyl 2-(4-chlorophenyl)propanedioate is 34402-92-1.
What is the molecular formula of 1,3-Dimethyl 2-(4-chlorophenyl)propanedioate?
The molecular formula of 1,3-Dimethyl 2-(4-chlorophenyl)propanedioate is C11H11ClO4.
What is the molecular weight of 1,3-Dimethyl 2-(4-chlorophenyl)propanedioate?
The molecular weight of 1,3-Dimethyl 2-(4-chlorophenyl)propanedioate is 242.03 g/mol.
Where can I buy 1,3-Dimethyl 2-(4-chlorophenyl)propanedioate?
You can request a quote for 1,3-Dimethyl 2-(4-chlorophenyl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl 2-(4-chlorophenyl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl 2-(4-chlorophenyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.