![1-[2,6-Dimethyl-4-[2-(2-thienyl)ethenyl]phenyl] butanedioate structure](/static/products/1257/125722-33-0.webp)
1-[2,6-Dimethyl-4-[2-(2-thienyl)ethenyl]phenyl] butanedioate
TL;DR: 1-[2,6-Dimethyl-4-[2-(2-thienyl)ethenyl]phenyl] butanedioate (CAS 125722-33-0) is a chemical compound with molecular formula C18H18O4S and molecular weight 330.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2,6-dimethyl-4-(2-thiophen-2-ylethenyl)phenoxy]-4-oxobutanoic acid
Also Known As: BI-L 357, BI-L-357, 1-[2,6-Dimethyl-4-[2-(2-thienyl)ethenyl]phenyl] butanedioate, 2,6-Dimethyl-4-(2-(2-thienyl)ethenyl)-phenol succinate ester, Butanedioic acid,mono[2,6-dimethyl-4-[(1E)-2-(2-thienyl)ethenyl]phenyl] ester
| Molecular Formula | C18H18O4S |
|---|---|
| Molecular Weight | 330.09 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 91.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 330.0926 |
| Heavy Atoms | 23 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 125722-33-0 |
|---|---|
| SMILES | CC1=CC(=CC(=C1OC(=O)CCC(=O)O)C)C=CC2=CC=CS2 |
| InChIKey | OIDYLVFJAIPWBI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-[2,6-Dimethyl-4-[2-(2-thienyl)ethenyl]phenyl] butanedioate (CAS 125722-33-0), with molecular formula C18H18O4S and molecular weight 330.09 g/mol. IUPAC: 4-[2,6-dimethyl-4-(2-thiophen-2-ylethenyl)phenoxy]-4-oxobutanoic acid.
Chemical Property Profile of 1-[2,6-Dimethyl-4-[2-(2-thienyl)ethenyl]phenyl] butanedioate
Property Insights of 1-[2,6-Dimethyl-4-[2-(2-thienyl)ethenyl]phenyl] butanedioate
The XLogP value of 3.8 indicates that 1-[2,6-Dimethyl-4-[2-(2-thienyl)ethenyl]phenyl] butanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2,6-Dimethyl-4-[2-(2-thienyl)ethenyl]phenyl] butanedioate. Following Lipinski's Rule of Five, 1-[2,6-Dimethyl-4-[2-(2-thienyl)ethenyl]phenyl] butanedioate has 1 hydrogen bond donor(s) and 5 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 1-[2,6-Dimethyl-4-[2-(2-thienyl)ethenyl]phenyl] butanedioate?
The CAS number of 1-[2,6-Dimethyl-4-[2-(2-thienyl)ethenyl]phenyl] butanedioate is 125722-33-0.
What is the molecular formula of 1-[2,6-Dimethyl-4-[2-(2-thienyl)ethenyl]phenyl] butanedioate?
The molecular formula of 1-[2,6-Dimethyl-4-[2-(2-thienyl)ethenyl]phenyl] butanedioate is C18H18O4S.
What is the molecular weight of 1-[2,6-Dimethyl-4-[2-(2-thienyl)ethenyl]phenyl] butanedioate?
The molecular weight of 1-[2,6-Dimethyl-4-[2-(2-thienyl)ethenyl]phenyl] butanedioate is 330.09 g/mol.
Where can I buy 1-[2,6-Dimethyl-4-[2-(2-thienyl)ethenyl]phenyl] butanedioate?
You can request a quote for 1-[2,6-Dimethyl-4-[2-(2-thienyl)ethenyl]phenyl] butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2,6-Dimethyl-4-[2-(2-thienyl)ethenyl]phenyl] butanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1-[2,6-Dimethyl-4-[2-(2-thienyl)ethenyl]phenyl] butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.