9-Bromo-11-(2-(phenylsulfonylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin-2-carboxylic acid
TL;DR: 9-Bromo-11-(2-(phenylsulfonylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin-2-carboxylic acid (CAS 123226-48-2) is a chemical compound with molecular formula C23H20BrNO5S2 and molecular weight 533.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-[2-(benzenesulfonamido)ethylsulfanyl]-9-bromo-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid
Also Known As: 9-Bromo-11-(2-(phenylsulfonylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin-2-carboxylic acid, Dibenz(b,e)oxepin-2-carboxylic acid, 6,11-dihydro-9-bromo-11-((2-(phenylsulfonyl)amino)ethyl)thio)-, Dibenz[b,e]oxepin-2-carboxylicacid, 9-bromo-6,11-dihydro-11-[[2-[(phenylsulfonyl)amino]ethyl]thio]-, 11-((2-((Benzenesulfonyl)amino)ethyl)sulfanyl)-9-bromo-6,11-dihydrodibenzo(b,e)oxepine-2-carboxylic acid, 11-({2-[(Benzenesulfonyl)amino]ethyl}sulfanyl)-9-bromo-6,11-dihydrodibenzo[b,e]oxepine-2-carboxylic acid
| Molecular Formula | C23H20BrNO5S2 |
|---|---|
| Molecular Weight | 533.00 g/mol |
| LogP | 4.8408 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 532.99664 |
| Heavy Atoms | 32 |
| Complexity | 1248.4965 |
Chemical Identifiers
| CAS Number | 123226-48-2 |
|---|---|
| SMILES | C1C2=C(C=C(C=C2)Br)C(C3=C(O1)C=CC(=C3)C(=O)O)SCCNS(=O)(=O)C4=CC=CC=C4 |
Product Overview
9-Bromo-11-(2-(phenylsulfonylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin-2-carboxylic acid (CAS 123226-48-2), with molecular formula C23H20BrNO5S2 and molecular weight 533.00 g/mol. IUPAC: 11-[2-(benzenesulfonamido)ethylsulfanyl]-9-bromo-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid.
Chemical Property Profile of 9-Bromo-11-(2-(phenylsulfonylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin-2-carboxylic acid
Property Insights of 9-Bromo-11-(2-(phenylsulfonylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin-2-carboxylic acid
The XLogP value of 4.8408 indicates that 9-Bromo-11-(2-(phenylsulfonylamino)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 9-Bromo-11-(2-(phenylsulfonylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin-2-carboxylic acid. Following Lipinski's Rule of Five, 9-Bromo-11-(2-(phenylsulfonylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin-2-carboxylic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9-Bromo-11-(2-(phenylsulfonylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin-2-carboxylic acid?
The CAS number of 9-Bromo-11-(2-(phenylsulfonylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin-2-carboxylic acid is 123226-48-2.
What is the molecular formula of 9-Bromo-11-(2-(phenylsulfonylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin-2-carboxylic acid?
The molecular formula of 9-Bromo-11-(2-(phenylsulfonylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin-2-carboxylic acid is C23H20BrNO5S2.
What is the molecular weight of 9-Bromo-11-(2-(phenylsulfonylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin-2-carboxylic acid?
The molecular weight of 9-Bromo-11-(2-(phenylsulfonylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin-2-carboxylic acid is 533.00 g/mol.
Where can I buy 9-Bromo-11-(2-(phenylsulfonylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin-2-carboxylic acid?
You can request a quote for 9-Bromo-11-(2-(phenylsulfonylamino)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 9-Bromo-11-(2-(phenylsulfonylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 9-Bromo-11-(2-(phenylsulfonylamino)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.