Bis(2,4-dimethylphenyl) butanedioate
TL;DR: Bis(2,4-dimethylphenyl) butanedioate (CAS 75452-30-1) is a chemical compound with molecular formula C20H22O4 and molecular weight 326.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2,4-dimethylphenyl) butanedioate
Also Known As: bis(2,4-dimethylphenyl) butanedioate, (E)-4-((4-((benzo[d][1,3]dioxol-5-ylmethylene)amino)phenyl)sulfonyl)aniline
| Molecular Formula | C20H22O4 |
|---|---|
| Molecular Weight | 326.15 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 326.1518 |
| Heavy Atoms | 24 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 75452-30-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC(=O)CCC(=O)OC2=C(C=C(C=C2)C)C)C |
| InChIKey | SMKYTFIJWCVBOG-UHFFFAOYSA-N |
Product Overview
Bis(2,4-dimethylphenyl) butanedioate (CAS 75452-30-1), with molecular formula C20H22O4 and molecular weight 326.15 g/mol. IUPAC: bis(2,4-dimethylphenyl) butanedioate.
Chemical Property Profile of Bis(2,4-dimethylphenyl) butanedioate
Property Insights of Bis(2,4-dimethylphenyl) butanedioate
The XLogP value of 4.4 indicates that Bis(2,4-dimethylphenyl) 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, Bis(2,4-dimethylphenyl) butanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(2,4-dimethylphenyl) 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 Bis(2,4-dimethylphenyl) butanedioate?
The CAS number of Bis(2,4-dimethylphenyl) butanedioate is 75452-30-1.
What is the molecular formula of Bis(2,4-dimethylphenyl) butanedioate?
The molecular formula of Bis(2,4-dimethylphenyl) butanedioate is C20H22O4.
What is the molecular weight of Bis(2,4-dimethylphenyl) butanedioate?
The molecular weight of Bis(2,4-dimethylphenyl) butanedioate is 326.15 g/mol.
Where can I buy Bis(2,4-dimethylphenyl) butanedioate?
You can request a quote for Bis(2,4-dimethylphenyl) butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2,4-dimethylphenyl) butanedioate?
Yes, KEHONG BIO provides custom synthesis services for Bis(2,4-dimethylphenyl) butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.