Tibenelast
TL;DR: Tibenelast (CAS 97852-72-7) is a chemical compound with molecular formula C13H14O4S and molecular weight 266.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-diethoxy-1-benzothiophene-2-carboxylic acid
Also Known As: Tibenelast, Tibenclast, Tibenelastum, Tibenelast [INN], Tibenelastum [Latin]
| Molecular Formula | C13H14O4S |
|---|---|
| Molecular Weight | 266.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 84.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.06128 |
| Heavy Atoms | 18 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 97852-72-7 |
|---|---|
| SMILES | CCOC1=C(C=C2C(=C1)C=C(S2)C(=O)O)OCC |
| InChIKey | PDUXMHXBBXXJFQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tibenelast (CAS 97852-72-7), with molecular formula C13H14O4S and molecular weight 266.06 g/mol. IUPAC: 5,6-diethoxy-1-benzothiophene-2-carboxylic acid.
Chemical Property Profile of Tibenelast
Property Insights of Tibenelast
The XLogP value of 3.5 indicates that Tibenelast is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tibenelast. Following Lipinski's Rule of Five, Tibenelast 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 Tibenelast?
The CAS number of Tibenelast is 97852-72-7.
What is the molecular formula of Tibenelast?
The molecular formula of Tibenelast is C13H14O4S.
What is the molecular weight of Tibenelast?
The molecular weight of Tibenelast is 266.06 g/mol.
Where can I buy Tibenelast?
You can request a quote for Tibenelast directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tibenelast?
Yes, KEHONG BIO provides custom synthesis services for Tibenelast and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.