2-苯基丙二酸二乙酯
TL;DR: 2-苯基丙二酸二乙酯 (CAS 83-13-6) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-苯基丙二酸二乙酯
diethyl 2-phenylpropanedioate
Also Known As: Diethyl phenylmalonate, Diethyl 2-phenylmalonate, Phenylmalonic acid diethyl ester, diethyl 2-phenylpropanedioate, Ethyl phenylmalonate
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 83-13-6 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC=CC=C1)C(=O)OCC |
| InChIKey | FGYDHYCFHBSNPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-苯基丙二酸二乙酯 (CAS 83-13-6), with molecular formula C13H16O4 and molecular weight 236.10 g/mol. IUPAC: diethyl 2-phenylpropanedioate.
Chemical Property Profile of 2-苯基丙二酸二乙酯
Property Insights of 2-苯基丙二酸二乙酯
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-苯基丙二酸二乙酯. With a topological polar surface area (TPSA) of 52.6 Ų, 2-苯基丙二酸二乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-苯基丙二酸二乙酯 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 2-苯基丙二酸二乙酯?
The CAS number of 2-苯基丙二酸二乙酯 is 83-13-6.
What is the molecular formula of 2-苯基丙二酸二乙酯?
The molecular formula of 2-苯基丙二酸二乙酯 is C13H16O4.
What is the molecular weight of 2-苯基丙二酸二乙酯?
The molecular weight of 2-苯基丙二酸二乙酯 is 236.10 g/mol.
Where can I buy 2-苯基丙二酸二乙酯?
You can request a quote for 2-苯基丙二酸二乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-苯基丙二酸二乙酯?
Yes, KEHONG BIO provides custom synthesis services for 2-苯基丙二酸二乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.