Dimethyl benzylidenemalonate
TL;DR: Dimethyl benzylidenemalonate (CAS 6626-84-2) is a chemical compound with molecular formula C12H12O4 and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-benzylidenepropanedioate
Also Known As: Dimethyl benzylidenemalonate, dimethyl 2-benzylidenemalonate, dimethyl 2-benzylidenepropanedioate, Dimethyl-2-benzylidenemalonate, dimethyl benzylidene malonate
| Molecular Formula | C12H12O4 |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 220.07356 |
| Heavy Atoms | 16 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 6626-84-2 |
|---|---|
| SMILES | COC(=O)C(=CC1=CC=CC=C1)C(=O)OC |
| InChIKey | HPLVTKYRGZZXJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl benzylidenemalonate (CAS 6626-84-2), with molecular formula C12H12O4 and molecular weight 220.07 g/mol. IUPAC: dimethyl 2-benzylidenepropanedioate.
Chemical Property Profile of Dimethyl benzylidenemalonate
Property Insights of Dimethyl benzylidenemalonate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl benzylidenemalonate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl benzylidenemalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl benzylidenemalonate 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 benzylidenemalonate?
The CAS number of Dimethyl benzylidenemalonate is 6626-84-2.
What is the molecular formula of Dimethyl benzylidenemalonate?
The molecular formula of Dimethyl benzylidenemalonate is C12H12O4.
What is the molecular weight of Dimethyl benzylidenemalonate?
The molecular weight of Dimethyl benzylidenemalonate is 220.07 g/mol.
Where can I buy Dimethyl benzylidenemalonate?
You can request a quote for Dimethyl benzylidenemalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl benzylidenemalonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl benzylidenemalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.