Dimethyl phenylpropanedioate
TL;DR: Dimethyl phenylpropanedioate (CAS 37434-59-6) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-phenylpropanedioate
Also Known As: Dimethyl 2-phenylmalonate, dimethyl 2-phenylpropanedioate, dimethyl phenylmalonate, dimethyl phenylpropanedioate, Dimethyl2-phenylmalonate
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 37434-59-6 |
|---|---|
| SMILES | COC(=O)C(C1=CC=CC=C1)C(=O)OC |
| InChIKey | FGDCQTFHGBAVJX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl phenylpropanedioate (CAS 37434-59-6), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: dimethyl 2-phenylpropanedioate.
Chemical Property Profile of Dimethyl phenylpropanedioate
Property Insights of Dimethyl phenylpropanedioate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl phenylpropanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl phenylpropanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl phenylpropanedioate 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 Dimethyl phenylpropanedioate?
The CAS number of Dimethyl phenylpropanedioate is 37434-59-6.
What is the molecular formula of Dimethyl phenylpropanedioate?
The molecular formula of Dimethyl phenylpropanedioate is C11H12O4.
What is the molecular weight of Dimethyl phenylpropanedioate?
The molecular weight of Dimethyl phenylpropanedioate is 208.07 g/mol.
Where can I buy Dimethyl phenylpropanedioate?
You can request a quote for Dimethyl phenylpropanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl phenylpropanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl phenylpropanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.