![6H-benzo[b][1,5]benzoxathiepine-6-carboxylic acid structure](/static/products/823/82386-98-9.png)
6H-benzo[b][1,5]benzoxathiepine-6-carboxylic acid
TL;DR: 6H-benzo[b][1,5]benzoxathiepine-6-carboxylic acid (CAS 82386-98-9) is a chemical compound with molecular formula C14H10O3S and molecular weight 258.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6H-benzo[b][1,5]benzoxathiepine-6-carboxylic acid
Also Known As: 6H-benzo[b][1,5]benzoxathiepine-6-carboxylic acid, 11H-dibenzo[b,f][1,4]oxathiepine-11-carboxylic acid, AE-641/30110003
| Molecular Formula | C14H10O3S |
|---|---|
| Molecular Weight | 258.04 g/mol |
| LogP | 3.7103 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.03506 |
| Heavy Atoms | 18 |
| Complexity | 609.49304 |
Chemical Identifiers
| CAS Number | 82386-98-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(SC3=CC=CC=C3O2)C(=O)O |
Product Overview
6H-benzo[b][1,5]benzoxathiepine-6-carboxylic acid (CAS 82386-98-9), with molecular formula C14H10O3S and molecular weight 258.04 g/mol. IUPAC: 6H-benzo[b][1,5]benzoxathiepine-6-carboxylic acid.
Chemical Property Profile of 6H-benzo[b][1,5]benzoxathiepine-6-carboxylic acid
Property Insights of 6H-benzo[b][1,5]benzoxathiepine-6-carboxylic acid
The XLogP value of 3.7103 indicates that 6H-benzo[b][1,5]benzoxathiepine-6-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, 6H-benzo[b][1,5]benzoxathiepine-6-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6H-benzo[b][1,5]benzoxathiepine-6-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 6H-benzo[b][1,5]benzoxathiepine-6-carboxylic acid?
The CAS number of 6H-benzo[b][1,5]benzoxathiepine-6-carboxylic acid is 82386-98-9.
What is the molecular formula of 6H-benzo[b][1,5]benzoxathiepine-6-carboxylic acid?
The molecular formula of 6H-benzo[b][1,5]benzoxathiepine-6-carboxylic acid is C14H10O3S.
What is the molecular weight of 6H-benzo[b][1,5]benzoxathiepine-6-carboxylic acid?
The molecular weight of 6H-benzo[b][1,5]benzoxathiepine-6-carboxylic acid is 258.04 g/mol.
Where can I buy 6H-benzo[b][1,5]benzoxathiepine-6-carboxylic acid?
You can request a quote for 6H-benzo[b][1,5]benzoxathiepine-6-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6H-benzo[b][1,5]benzoxathiepine-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6H-benzo[b][1,5]benzoxathiepine-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.