8-Fluorodibenzo(b,f)thiepin-3-carboxylic acid-5-oxide
TL;DR: 8-Fluorodibenzo(b,f)thiepin-3-carboxylic acid-5-oxide (CAS 89825-69-4) is a chemical compound with molecular formula C15H9FO3S and molecular weight 288.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11R)-3-fluoro-11-oxobenzo[b][1]benzothiepine-9-carboxylic acid
Also Known As: 8-Fluorodibenzo(b,f)thiepin-3-carboxylic acid-5-oxide, 3-fluoro-11-oxobenzo[b][1]benzothiepine-9-carboxylic acid, (R)-8-fluorodibenzo[b,f]thiepine-3-carboxylic acid 5-oxide, 8-Fluorodibenzo[b,f]thiepin-3-carboxylic acid 5-oxide, 8-fluorodibenzo[b,f]thiepin-3-carboxylic acid-5-oxide
| Molecular Formula | C15H9FO3S |
|---|---|
| Molecular Weight | 288.03 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 82.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.02563 |
| Heavy Atoms | 20 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 89825-69-4 |
|---|---|
| SMILES | C1=CC(=CC2=C1C=CC3=C([S@]2=O)C=CC(=C3)F)C(=O)O |
| InChIKey | SAHGCTPARQWSQG-HXUWFJFHSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-Fluorodibenzo(b,f)thiepin-3-carboxylic acid-5-oxide (CAS 89825-69-4), with molecular formula C15H9FO3S and molecular weight 288.03 g/mol. IUPAC: (11R)-3-fluoro-11-oxobenzo[b][1]benzothiepine-9-carboxylic acid.
Chemical Property Profile of 8-Fluorodibenzo(b,f)thiepin-3-carboxylic acid-5-oxide
Property Insights of 8-Fluorodibenzo(b,f)thiepin-3-carboxylic acid-5-oxide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Fluorodibenzo(b,f)thiepin-3-carboxylic acid-5-oxide. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Fluorodibenzo(b,f)thiepin-3-carboxylic acid-5-oxide. Following Lipinski's Rule of Five, 8-Fluorodibenzo(b,f)thiepin-3-carboxylic acid-5-oxide 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 8-Fluorodibenzo(b,f)thiepin-3-carboxylic acid-5-oxide?
The CAS number of 8-Fluorodibenzo(b,f)thiepin-3-carboxylic acid-5-oxide is 89825-69-4.
What is the molecular formula of 8-Fluorodibenzo(b,f)thiepin-3-carboxylic acid-5-oxide?
The molecular formula of 8-Fluorodibenzo(b,f)thiepin-3-carboxylic acid-5-oxide is C15H9FO3S.
What is the molecular weight of 8-Fluorodibenzo(b,f)thiepin-3-carboxylic acid-5-oxide?
The molecular weight of 8-Fluorodibenzo(b,f)thiepin-3-carboxylic acid-5-oxide is 288.03 g/mol.
Where can I buy 8-Fluorodibenzo(b,f)thiepin-3-carboxylic acid-5-oxide?
You can request a quote for 8-Fluorodibenzo(b,f)thiepin-3-carboxylic acid-5-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Fluorodibenzo(b,f)thiepin-3-carboxylic acid-5-oxide?
Yes, KEHONG BIO provides custom synthesis services for 8-Fluorodibenzo(b,f)thiepin-3-carboxylic acid-5-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.