亚苄基丙二酸二乙酯
TL;DR: 亚苄基丙二酸二乙酯 (CAS 5292-53-5) is a chemical compound with molecular formula C14H16O4 and molecular weight 248.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
亚苄基丙二酸二乙酯
diethyl 2-benzylidenepropanedioate
Also Known As: Diethyl benzylidenemalonate, Diethyl benzalmalonate, Diethyl 2-benzylidenemalonate, Cephalomannine, Ethyl benzylidenemalonate
| Molecular Formula | C14H16O4 |
|---|---|
| Molecular Weight | 248.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 248.10486 |
| Heavy Atoms | 18 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 5292-53-5 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=CC=C1)C(=O)OCC |
| InChIKey | VUWPIBNKJSEYIN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
亚苄基丙二酸二乙酯 (CAS 5292-53-5), with molecular formula C14H16O4 and molecular weight 248.10 g/mol. IUPAC: diethyl 2-benzylidenepropanedioate.
Chemical Property Profile of 亚苄基丙二酸二乙酯
Property Insights of 亚苄基丙二酸二乙酯
The XLogP value of 3.1 indicates that 亚苄基丙二酸二乙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 亚苄基丙二酸二乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 亚苄基丙二酸二乙酯 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 亚苄基丙二酸二乙酯?
The CAS number of 亚苄基丙二酸二乙酯 is 5292-53-5.
What is the molecular formula of 亚苄基丙二酸二乙酯?
The molecular formula of 亚苄基丙二酸二乙酯 is C14H16O4.
What is the molecular weight of 亚苄基丙二酸二乙酯?
The molecular weight of 亚苄基丙二酸二乙酯 is 248.10 g/mol.
Where can I buy 亚苄基丙二酸二乙酯?
You can request a quote for 亚苄基丙二酸二乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 亚苄基丙二酸二乙酯?
Yes, KEHONG BIO provides custom synthesis services for 亚苄基丙二酸二乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.