11-(2-((2-Thienylsulfonyl)amino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin-2-carboxylic acid
TL;DR: 11-(2-((2-Thienylsulfonyl)amino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin-2-carboxylic acid (CAS 123226-56-2) is a chemical compound with molecular formula C21H19NO5S3 and molecular weight 461.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-[2-(thiophen-2-ylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid
Also Known As: 11-(2-((2-Thienylsulfonyl)amino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin-2-carboxylic acid, Dibenz(b,e)oxepin-2-carboxylic acid, 6,11-dihydro-11-((2-(((2-thienylsulfonyl)amino)ethyl)thio)-, 11-[2-(thiophen-2-ylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid, Dibenz[b,e]oxepin-2-carboxylicacid, 6,11-dihydro-11-[[2-[(2-thienylsulfonyl)amino]ethyl]thio]-, 11-((2-((Thiophene-2-sulfonyl)amino)ethyl)sulfanyl)-6,11-dihydrodibenzo(b,e)oxepine-2-carboxylic acid
| Molecular Formula | C21H19NO5S3 |
|---|---|
| Molecular Weight | 461.04 g/mol |
| LogP | 4.1398 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 461.04254 |
| Heavy Atoms | 30 |
| Complexity | 1159.1448 |
Chemical Identifiers
| CAS Number | 123226-56-2 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)C(=O)O)SCCNS(=O)(=O)C4=CC=CS4 |
Product Overview
11-(2-((2-Thienylsulfonyl)amino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin-2-carboxylic acid (CAS 123226-56-2), with molecular formula C21H19NO5S3 and molecular weight 461.04 g/mol. IUPAC: 11-[2-(thiophen-2-ylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid.
Chemical Property Profile of 11-(2-((2-Thienylsulfonyl)amino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin-2-carboxylic acid
Property Insights of 11-(2-((2-Thienylsulfonyl)amino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin-2-carboxylic acid
The XLogP value of 4.1398 indicates that 11-(2-((2-Thienylsulfonyl)amino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-(2-((2-Thienylsulfonyl)amino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin-2-carboxylic acid. Following Lipinski's Rule of Five, 11-(2-((2-Thienylsulfonyl)amino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin-2-carboxylic acid has 2 hydrogen bond donor(s) and 6 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 11-(2-((2-Thienylsulfonyl)amino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin-2-carboxylic acid?
The CAS number of 11-(2-((2-Thienylsulfonyl)amino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin-2-carboxylic acid is 123226-56-2.
What is the molecular formula of 11-(2-((2-Thienylsulfonyl)amino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin-2-carboxylic acid?
The molecular formula of 11-(2-((2-Thienylsulfonyl)amino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin-2-carboxylic acid is C21H19NO5S3.
What is the molecular weight of 11-(2-((2-Thienylsulfonyl)amino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin-2-carboxylic acid?
The molecular weight of 11-(2-((2-Thienylsulfonyl)amino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin-2-carboxylic acid is 461.04 g/mol.
Where can I buy 11-(2-((2-Thienylsulfonyl)amino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin-2-carboxylic acid?
You can request a quote for 11-(2-((2-Thienylsulfonyl)amino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin-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 11-(2-((2-Thienylsulfonyl)amino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 11-(2-((2-Thienylsulfonyl)amino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.