2-Cinnamylidenepropanedioyl dichloride
TL;DR: 2-Cinnamylidenepropanedioyl dichloride (CAS 70680-01-2) is a chemical compound with molecular formula C12H8Cl2O2 and molecular weight 253.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cinnamylidenepropanedioyl dichloride
Also Known As: 2-cinnamylidenepropanedioyl dichloride, (3-phenylprop-2-en-1-ylidene)propanedioyl dichloride, 2-[(E)-3-phenylprop-2-enylidene]propanedioyl dichloride
| Molecular Formula | C12H8Cl2O2 |
|---|---|
| Molecular Weight | 253.99 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.99013 |
| Heavy Atoms | 16 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 70680-01-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC=C(C(=O)Cl)C(=O)Cl |
| InChIKey | FWPDVKQQOOXBBM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Cinnamylidenepropanedioyl dichloride (CAS 70680-01-2), with molecular formula C12H8Cl2O2 and molecular weight 253.99 g/mol. IUPAC: 2-cinnamylidenepropanedioyl dichloride.
Chemical Property Profile of 2-Cinnamylidenepropanedioyl dichloride
Property Insights of 2-Cinnamylidenepropanedioyl dichloride
The XLogP value of 4.2 indicates that 2-Cinnamylidenepropanedioyl dichloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 2-Cinnamylidenepropanedioyl dichloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cinnamylidenepropanedioyl dichloride has 0 hydrogen bond donor(s) and 2 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-Cinnamylidenepropanedioyl dichloride?
The CAS number of 2-Cinnamylidenepropanedioyl dichloride is 70680-01-2.
What is the molecular formula of 2-Cinnamylidenepropanedioyl dichloride?
The molecular formula of 2-Cinnamylidenepropanedioyl dichloride is C12H8Cl2O2.
What is the molecular weight of 2-Cinnamylidenepropanedioyl dichloride?
The molecular weight of 2-Cinnamylidenepropanedioyl dichloride is 253.99 g/mol.
Where can I buy 2-Cinnamylidenepropanedioyl dichloride?
You can request a quote for 2-Cinnamylidenepropanedioyl dichloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cinnamylidenepropanedioyl dichloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Cinnamylidenepropanedioyl dichloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.