Dimethyl 2,3-diphenylbut-2-enedioate
TL;DR: Dimethyl 2,3-diphenylbut-2-enedioate (CAS 72487-30-0) is a chemical compound with molecular formula C18H16O4 and molecular weight 296.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2,3-diphenylbut-2-enedioate
Also Known As: dimethyl 2,3-diphenylbut-2-enedioate, 2-Butenedioic acid, 2,3-diphenyl-, dimethyl ester, (E)-
| Molecular Formula | C18H16O4 |
|---|---|
| Molecular Weight | 296.10 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 296.10486 |
| Heavy Atoms | 22 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 72487-30-0 |
|---|---|
| SMILES | COC(=O)C(=C(C1=CC=CC=C1)C(=O)OC)C2=CC=CC=C2 |
| InChIKey | JOOQAQATHFFERE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 2,3-diphenylbut-2-enedioate (CAS 72487-30-0), with molecular formula C18H16O4 and molecular weight 296.10 g/mol. IUPAC: dimethyl 2,3-diphenylbut-2-enedioate.
Chemical Property Profile of Dimethyl 2,3-diphenylbut-2-enedioate
Property Insights of Dimethyl 2,3-diphenylbut-2-enedioate
The XLogP value of 3.5 indicates that Dimethyl 2,3-diphenylbut-2-enedioate 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 2,3-diphenylbut-2-enedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2,3-diphenylbut-2-enedioate 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 2,3-diphenylbut-2-enedioate?
The CAS number of Dimethyl 2,3-diphenylbut-2-enedioate is 72487-30-0.
What is the molecular formula of Dimethyl 2,3-diphenylbut-2-enedioate?
The molecular formula of Dimethyl 2,3-diphenylbut-2-enedioate is C18H16O4.
What is the molecular weight of Dimethyl 2,3-diphenylbut-2-enedioate?
The molecular weight of Dimethyl 2,3-diphenylbut-2-enedioate is 296.10 g/mol.
Where can I buy Dimethyl 2,3-diphenylbut-2-enedioate?
You can request a quote for Dimethyl 2,3-diphenylbut-2-enedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2,3-diphenylbut-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2,3-diphenylbut-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.