![5-oxo-6H-benzo[b][1]benzothiepine-2-carboxylic acid structure](/static/products/255/25562-65-6.png)
5-oxo-6H-benzo[b][1]benzothiepine-2-carboxylic acid
TL;DR: 5-oxo-6H-benzo[b][1]benzothiepine-2-carboxylic acid (CAS 25562-65-6) is a chemical compound with molecular formula C15H10O3S and molecular weight 270.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oxo-6H-benzo[b][1]benzothiepine-2-carboxylic acid
Also Known As: AE-641/30101057, 11-oxo-10,11-dihydrodibenzo[b,f]thiepine-3-carboxylic acid, 5-oxo-6H-benzo[b][1]benzothiepine-2-carboxylic acid, 10,11-dihydro-11-oxodibenzo[b,f]thiepin-3-carboxylic acid, 10,11-dihydro-11-oxodibenzo-[b,f]thiepin-3-carboxylic acid
| Molecular Formula | C15H10O3S |
|---|---|
| Molecular Weight | 270.04 g/mol |
| LogP | 3.2748 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 270.03506 |
| Heavy Atoms | 19 |
| Complexity | 691.5401 |
Chemical Identifiers
| CAS Number | 25562-65-6 |
|---|---|
| SMILES | C1C2=CC=CC=C2SC3=C(C1=O)C=CC(=C3)C(=O)O |
Product Overview
5-oxo-6H-benzo[b][1]benzothiepine-2-carboxylic acid (CAS 25562-65-6), with molecular formula C15H10O3S and molecular weight 270.04 g/mol. IUPAC: 5-oxo-6H-benzo[b][1]benzothiepine-2-carboxylic acid.
Chemical Property Profile of 5-oxo-6H-benzo[b][1]benzothiepine-2-carboxylic acid
Property Insights of 5-oxo-6H-benzo[b][1]benzothiepine-2-carboxylic acid
The XLogP value of 3.2748 indicates that 5-oxo-6H-benzo[b][1]benzothiepine-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, 5-oxo-6H-benzo[b][1]benzothiepine-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-oxo-6H-benzo[b][1]benzothiepine-2-carboxylic acid has 1 hydrogen bond donor(s) and 3 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 5-oxo-6H-benzo[b][1]benzothiepine-2-carboxylic acid?
The CAS number of 5-oxo-6H-benzo[b][1]benzothiepine-2-carboxylic acid is 25562-65-6.
What is the molecular formula of 5-oxo-6H-benzo[b][1]benzothiepine-2-carboxylic acid?
The molecular formula of 5-oxo-6H-benzo[b][1]benzothiepine-2-carboxylic acid is C15H10O3S.
What is the molecular weight of 5-oxo-6H-benzo[b][1]benzothiepine-2-carboxylic acid?
The molecular weight of 5-oxo-6H-benzo[b][1]benzothiepine-2-carboxylic acid is 270.04 g/mol.
Where can I buy 5-oxo-6H-benzo[b][1]benzothiepine-2-carboxylic acid?
You can request a quote for 5-oxo-6H-benzo[b][1]benzothiepine-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-oxo-6H-benzo[b][1]benzothiepine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-oxo-6H-benzo[b][1]benzothiepine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.