Dimethyl cinnamylidenemalonate
TL;DR: Dimethyl cinnamylidenemalonate (CAS 38044-62-1) is a chemical compound with molecular formula C14H14O4 and molecular weight 246.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[(E)-3-phenylprop-2-enylidene]propanedioate
Also Known As: Dimethyl cinnamylidenemalonate, dimethylcinnamylidenemalonate, EINECS 253-653-0, Cinnamyliden-malonsaeure-dimethylester, Dimethyl 2-(3-phenylallylidene)malonate
| Molecular Formula | C14H14O4 |
|---|---|
| Molecular Weight | 246.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 246.0892 |
| Heavy Atoms | 18 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 38044-62-1 |
|---|---|
| SMILES | COC(=O)C(=C/C=C/C1=CC=CC=C1)C(=O)OC |
| InChIKey | QKATZXQTAXGSBB-RMKNXTFCSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl cinnamylidenemalonate (CAS 38044-62-1), with molecular formula C14H14O4 and molecular weight 246.09 g/mol. IUPAC: dimethyl 2-[(E)-3-phenylprop-2-enylidene]propanedioate.
Chemical Property Profile of Dimethyl cinnamylidenemalonate
Property Insights of Dimethyl cinnamylidenemalonate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl cinnamylidenemalonate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl cinnamylidenemalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl cinnamylidenemalonate 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 cinnamylidenemalonate?
The CAS number of Dimethyl cinnamylidenemalonate is 38044-62-1.
What is the molecular formula of Dimethyl cinnamylidenemalonate?
The molecular formula of Dimethyl cinnamylidenemalonate is C14H14O4.
What is the molecular weight of Dimethyl cinnamylidenemalonate?
The molecular weight of Dimethyl cinnamylidenemalonate is 246.09 g/mol.
Where can I buy Dimethyl cinnamylidenemalonate?
You can request a quote for Dimethyl cinnamylidenemalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl cinnamylidenemalonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl cinnamylidenemalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.