Dimethyl 2-(4-phenylbut-3-en-2-yl)propanedioate
TL;DR: Dimethyl 2-(4-phenylbut-3-en-2-yl)propanedioate (CAS 200191-40-8) is a chemical compound with molecular formula C15H18O4 and molecular weight 262.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(4-phenylbut-3-en-2-yl)propanedioate
Also Known As: Propanedioic acid, (1-methyl-3-phenyl-2-propenyl)-, dimethyl ester, Propanedioic acid, [(2E)-1-methyl-3-phenyl-2-propenyl]-, dimethyl ester
| Molecular Formula | C15H18O4 |
|---|---|
| Molecular Weight | 262.12 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 | 262.1205 |
| Heavy Atoms | 19 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 200191-40-8 |
|---|---|
| SMILES | CC(C=CC1=CC=CC=C1)C(C(=O)OC)C(=O)OC |
| InChIKey | FQUOZEVDJXQKDV-UHFFFAOYSA-N |
Product Overview
Dimethyl 2-(4-phenylbut-3-en-2-yl)propanedioate (CAS 200191-40-8), with molecular formula C15H18O4 and molecular weight 262.12 g/mol. IUPAC: dimethyl 2-(4-phenylbut-3-en-2-yl)propanedioate.
Chemical Property Profile of Dimethyl 2-(4-phenylbut-3-en-2-yl)propanedioate
Property Insights of Dimethyl 2-(4-phenylbut-3-en-2-yl)propanedioate
The XLogP value of 3.1 indicates that Dimethyl 2-(4-phenylbut-3-en-2-yl)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, Dimethyl 2-(4-phenylbut-3-en-2-yl)propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2-(4-phenylbut-3-en-2-yl)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 Dimethyl 2-(4-phenylbut-3-en-2-yl)propanedioate?
The CAS number of Dimethyl 2-(4-phenylbut-3-en-2-yl)propanedioate is 200191-40-8.
What is the molecular formula of Dimethyl 2-(4-phenylbut-3-en-2-yl)propanedioate?
The molecular formula of Dimethyl 2-(4-phenylbut-3-en-2-yl)propanedioate is C15H18O4.
What is the molecular weight of Dimethyl 2-(4-phenylbut-3-en-2-yl)propanedioate?
The molecular weight of Dimethyl 2-(4-phenylbut-3-en-2-yl)propanedioate is 262.12 g/mol.
Where can I buy Dimethyl 2-(4-phenylbut-3-en-2-yl)propanedioate?
You can request a quote for Dimethyl 2-(4-phenylbut-3-en-2-yl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-(4-phenylbut-3-en-2-yl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-(4-phenylbut-3-en-2-yl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.