Bis(2-methylpropyl) (3-phenylprop-2-en-1-ylidene)propanedioate
TL;DR: Bis(2-methylpropyl) (3-phenylprop-2-en-1-ylidene)propanedioate (CAS 93820-05-4) is a chemical compound with molecular formula C20H26O4 and molecular weight 330.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-methylpropyl) 2-cinnamylidenepropanedioate
Also Known As: Bis(2-methylpropyl) (3-phenylallylidene)malonate, bis(2-methylpropyl) 2-cinnamylidenepropanedioate, Bis(2-methylpropyl) (3-phenylprop-2-en-1-ylidene)propanedioate, 1,3-Bis(2-methylpropyl) 2-(3-phenyl-2-propen-1-ylidene)propanedioate
| Molecular Formula | C20H26O4 |
|---|---|
| Molecular Weight | 330.18 g/mol |
| LogP | 4.0246 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 330.1831 |
| Heavy Atoms | 24 |
| Complexity | 556.9162 |
Chemical Identifiers
| CAS Number | 93820-05-4 |
|---|---|
| SMILES | CC(C)COC(=O)C(=CC=CC1=CC=CC=C1)C(=O)OCC(C)C |
Product Overview
Bis(2-methylpropyl) (3-phenylprop-2-en-1-ylidene)propanedioate (CAS 93820-05-4), with molecular formula C20H26O4 and molecular weight 330.18 g/mol. IUPAC: bis(2-methylpropyl) 2-cinnamylidenepropanedioate.
Chemical Property Profile of Bis(2-methylpropyl) (3-phenylprop-2-en-1-ylidene)propanedioate
Property Insights of Bis(2-methylpropyl) (3-phenylprop-2-en-1-ylidene)propanedioate
The XLogP value of 4.0246 indicates that Bis(2-methylpropyl) (3-phenylprop-2-en-1-ylidene)propanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Bis(2-methylpropyl) (3-phenylprop-2-en-1-ylidene)propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(2-methylpropyl) (3-phenylprop-2-en-1-ylidene)propanedioate 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 Bis(2-methylpropyl) (3-phenylprop-2-en-1-ylidene)propanedioate?
The CAS number of Bis(2-methylpropyl) (3-phenylprop-2-en-1-ylidene)propanedioate is 93820-05-4.
What is the molecular formula of Bis(2-methylpropyl) (3-phenylprop-2-en-1-ylidene)propanedioate?
The molecular formula of Bis(2-methylpropyl) (3-phenylprop-2-en-1-ylidene)propanedioate is C20H26O4.
What is the molecular weight of Bis(2-methylpropyl) (3-phenylprop-2-en-1-ylidene)propanedioate?
The molecular weight of Bis(2-methylpropyl) (3-phenylprop-2-en-1-ylidene)propanedioate is 330.18 g/mol.
Where can I buy Bis(2-methylpropyl) (3-phenylprop-2-en-1-ylidene)propanedioate?
You can request a quote for Bis(2-methylpropyl) (3-phenylprop-2-en-1-ylidene)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2-methylpropyl) (3-phenylprop-2-en-1-ylidene)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Bis(2-methylpropyl) (3-phenylprop-2-en-1-ylidene)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.