11-((2-((2-Methoxybenzoyl)amino)ethyl)thio)-6,11-dihydro-dibenz(b,e)oxepin-2-carboxylic acid
TL;DR: 11-((2-((2-Methoxybenzoyl)amino)ethyl)thio)-6,11-dihydro-dibenz(b,e)oxepin-2-carboxylic acid (CAS 123227-23-6) is a chemical compound with molecular formula C25H23NO5S and molecular weight 449.1297 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
11-[2-[(2-methoxybenzoyl)amino]ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid
Also Known As: 11-((2-((2-Methoxybenzoyl)amino)ethyl)thio)-6,11-dihydro-dibenz(b,e)oxepin-2-carboxylic acid, Dibenz(b,e)oxepin-2-carboxylic acid, 6,11-dihydro-11-((2-((2-methoxybenzoyl)amino)ethyl)thio)-, Dibenz[b,e]oxepin-2-carboxylicacid, 6,11-dihydro-11-[[2-[(2-methoxybenzoyl)amino]ethyl]thio]-, 11-((2-((Hydroxy(2-methoxyphenyl)methylidene)amino)ethyl)sulfanyl)-6,11-dihydrodibenzo(b,e)oxepine-2-carboxylic acid, 11-[(2-{[Hydroxy(2-methoxyphenyl)methylidene]amino}ethyl)sulfanyl]-6,11-dihydrodibenzo[b,e]oxepine-2-carboxylic acid
Technical Specifications
| Molecular Formula | C25H23NO5S |
| Molecular Weight | 449.1297 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 449.1297 Da |
| Heavy Atoms | 32 |
| Complexity | 646.0 |
| SMILES | COC1=CC=CC=C1C(=O)NCCSC2C3=CC=CC=C3COC4=C2C=C(C=C4)C(=O)O |
| InChIKey | MQQIVJZNLKLAEC-UHFFFAOYSA-N |
Chemical Property Profile of 11-((2-((2-Methoxybenzoyl)amino)ethyl)thio)-6,11-dihydro-dibenz(b,e)oxepin-2-carboxylic acid
Property Insights of 11-((2-((2-Methoxybenzoyl)amino)ethyl)thio)-6,11-dihydro-dibenz(b,e)oxepin-2-carboxylic acid
The XLogP value of 4.1 indicates that 11-((2-((2-Methoxybenzoyl)amino)ethyl)thio)-6,11-dihydro-dibenz(b,e)oxepin-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-((2-((2-Methoxybenzoyl)amino)ethyl)thio)-6,11-dihydro-dibenz(b,e)oxepin-2-carboxylic acid. Following Lipinski's Rule of Five, 11-((2-((2-Methoxybenzoyl)amino)ethyl)thio)-6,11-dihydro-dibenz(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
What is the CAS number of 11-((2-((2-Methoxybenzoyl)amino)ethyl)thio)-6,11-dihydro-dibenz(b,e)oxepin-2-carboxylic acid?
The CAS number of 11-((2-((2-Methoxybenzoyl)amino)ethyl)thio)-6,11-dihydro-dibenz(b,e)oxepin-2-carboxylic acid is 123227-23-6.
What is the molecular formula of 11-((2-((2-Methoxybenzoyl)amino)ethyl)thio)-6,11-dihydro-dibenz(b,e)oxepin-2-carboxylic acid?
The molecular formula of 11-((2-((2-Methoxybenzoyl)amino)ethyl)thio)-6,11-dihydro-dibenz(b,e)oxepin-2-carboxylic acid is C25H23NO5S.
What is the molecular weight of 11-((2-((2-Methoxybenzoyl)amino)ethyl)thio)-6,11-dihydro-dibenz(b,e)oxepin-2-carboxylic acid?
The molecular weight of 11-((2-((2-Methoxybenzoyl)amino)ethyl)thio)-6,11-dihydro-dibenz(b,e)oxepin-2-carboxylic acid is 449.1297 g/mol.
Where can I buy 11-((2-((2-Methoxybenzoyl)amino)ethyl)thio)-6,11-dihydro-dibenz(b,e)oxepin-2-carboxylic acid?
You can request a quote for 11-((2-((2-Methoxybenzoyl)amino)ethyl)thio)-6,11-dihydro-dibenz(b,e)oxepin-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 11-((2-((2-Methoxybenzoyl)amino)ethyl)thio)-6,11-dihydro-dibenz(b,e)oxepin-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 11-((2-((2-Methoxybenzoyl)amino)ethyl)thio)-6,11-dihydro-dibenz(b,e)oxepin-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.