Tiopinac
TL;DR: Tiopinac (CAS 61220-69-7) is a chemical compound with molecular formula C16H12O3S and molecular weight 284.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)acetic acid
Also Known As: TIOPINAC, Tiopinaco, Tiopinacum, Tiopinacum [INN-Latin], Tiopinaco [INN-Spanish]
| Molecular Formula | C16H12O3S |
|---|---|
| Molecular Weight | 284.05 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.05072 |
| Heavy Atoms | 20 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 61220-69-7 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(=O)C3=C(S1)C=C(C=C3)CC(=O)O |
| InChIKey | KLIVRBFRQSOGQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tiopinac (CAS 61220-69-7), with molecular formula C16H12O3S and molecular weight 284.05 g/mol. IUPAC: 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)acetic acid.
Chemical Property Profile of Tiopinac
Property Insights of Tiopinac
The XLogP value of 3.0 indicates that Tiopinac is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Tiopinac. Following Lipinski's Rule of Five, Tiopinac has 1 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 Tiopinac?
The CAS number of Tiopinac is 61220-69-7.
What is the molecular formula of Tiopinac?
The molecular formula of Tiopinac is C16H12O3S.
What is the molecular weight of Tiopinac?
The molecular weight of Tiopinac is 284.05 g/mol.
Where can I buy Tiopinac?
You can request a quote for Tiopinac directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tiopinac?
Yes, KEHONG BIO provides custom synthesis services for Tiopinac and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.