Dimethyl 2,4-diphenylcyclobutane-1,3-dicarboxylate
TL;DR: Dimethyl 2,4-diphenylcyclobutane-1,3-dicarboxylate (CAS 5699-79-6) is a chemical compound with molecular formula C20H20O4 and molecular weight 324.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2,4-diphenylcyclobutane-1,3-dicarboxylate
Also Known As: truxillic acid dimethyl ester, dimethyl 2,4-diphenylcyclobutane-1,3-dicarboxylate, BAS 00647269, J2.001.781C, J2.292.603I
| Molecular Formula | C20H20O4 |
|---|---|
| Molecular Weight | 324.14 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 324.13617 |
| Heavy Atoms | 24 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 5699-79-6 |
|---|---|
| SMILES | COC(=O)C1C(C(C1C2=CC=CC=C2)C(=O)OC)C3=CC=CC=C3 |
| InChIKey | MJAGZKYWKWEKQU-UHFFFAOYSA-N |
Product Overview
Dimethyl 2,4-diphenylcyclobutane-1,3-dicarboxylate (CAS 5699-79-6), with molecular formula C20H20O4 and molecular weight 324.14 g/mol. IUPAC: dimethyl 2,4-diphenylcyclobutane-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 2,4-diphenylcyclobutane-1,3-dicarboxylate
Property Insights of Dimethyl 2,4-diphenylcyclobutane-1,3-dicarboxylate
The XLogP value of 3.2 indicates that Dimethyl 2,4-diphenylcyclobutane-1,3-dicarboxylate 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-diphenylcyclobutane-1,3-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2,4-diphenylcyclobutane-1,3-dicarboxylate 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-diphenylcyclobutane-1,3-dicarboxylate?
The CAS number of Dimethyl 2,4-diphenylcyclobutane-1,3-dicarboxylate is 5699-79-6.
What is the molecular formula of Dimethyl 2,4-diphenylcyclobutane-1,3-dicarboxylate?
The molecular formula of Dimethyl 2,4-diphenylcyclobutane-1,3-dicarboxylate is C20H20O4.
What is the molecular weight of Dimethyl 2,4-diphenylcyclobutane-1,3-dicarboxylate?
The molecular weight of Dimethyl 2,4-diphenylcyclobutane-1,3-dicarboxylate is 324.14 g/mol.
Where can I buy Dimethyl 2,4-diphenylcyclobutane-1,3-dicarboxylate?
You can request a quote for Dimethyl 2,4-diphenylcyclobutane-1,3-dicarboxylate 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-diphenylcyclobutane-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2,4-diphenylcyclobutane-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.