Diethyl 2-(diphenylmethylidene)butanedioate
TL;DR: Diethyl 2-(diphenylmethylidene)butanedioate (CAS 81910-07-8) is a chemical compound with molecular formula C21H22O4 and molecular weight 338.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-benzhydrylidenebutanedioate
Also Known As: diethyl 2-(diphenylmethylidene)butanedioate, diethyl diphenylmethylenesuccinate, diethyl 2-benzhydrylidenebutanedioate, DIETHYL 2-(DIPHENYLMETHYLENE)SUCCINATE, benzhydrylidene-succinic acid diethyl ester
| Molecular Formula | C21H22O4 |
|---|---|
| Molecular Weight | 338.15 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 338.1518 |
| Heavy Atoms | 25 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 81910-07-8 |
|---|---|
| SMILES | CCOC(=O)CC(=C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)OCC |
| InChIKey | AQAGLGRUHUYCPH-UHFFFAOYSA-N |
Product Overview
Diethyl 2-(diphenylmethylidene)butanedioate (CAS 81910-07-8), with molecular formula C21H22O4 and molecular weight 338.15 g/mol. IUPAC: diethyl 2-benzhydrylidenebutanedioate.
Chemical Property Profile of Diethyl 2-(diphenylmethylidene)butanedioate
Property Insights of Diethyl 2-(diphenylmethylidene)butanedioate
The XLogP value of 4.6 indicates that Diethyl 2-(diphenylmethylidene)butanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl 2-(diphenylmethylidene)butanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2-(diphenylmethylidene)butanedioate 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 Diethyl 2-(diphenylmethylidene)butanedioate?
The CAS number of Diethyl 2-(diphenylmethylidene)butanedioate is 81910-07-8.
What is the molecular formula of Diethyl 2-(diphenylmethylidene)butanedioate?
The molecular formula of Diethyl 2-(diphenylmethylidene)butanedioate is C21H22O4.
What is the molecular weight of Diethyl 2-(diphenylmethylidene)butanedioate?
The molecular weight of Diethyl 2-(diphenylmethylidene)butanedioate is 338.15 g/mol.
Where can I buy Diethyl 2-(diphenylmethylidene)butanedioate?
You can request a quote for Diethyl 2-(diphenylmethylidene)butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(diphenylmethylidene)butanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(diphenylmethylidene)butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.