Dibenzo(c,e)thiepin-5,7-dicarboxylic acid, 5,7-dihydro-, 6,6-dioxide
TL;DR: Dibenzo(c,e)thiepin-5,7-dicarboxylic acid, 5,7-dihydro-, 6,6-dioxide (CAS 110129-23-2) is a chemical compound with molecular formula C16H12O6S and molecular weight 332.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,6-dioxo-5,7-dihydrobenzo[d][2]benzothiepine-5,7-dicarboxylic acid
Also Known As: 6,6-Dioxido-5,7-dihydrodibenzo(c,e)thiepin-5,7-dicarboxylic acid, Dibenzo(c,e)thiepin-5,7-dicarboxylic acid, 5,7-dihydro-, 6,6-dioxide, 6,6-dioxo-5,7-dihydrobenzo[d][2]benzothiepine-5,7-dicarboxylic acid, Dibenzo[c,e]thiepin-5,7-dicarboxylicacid, 5,7-dihydro-, 6,6-dioxide, 6,6-dioxido-5,7-dihydrodibenzo[c,e]thiepin-5,7-dicarboxylic acid
| Molecular Formula | C16H12O6S |
|---|---|
| Molecular Weight | 332.04 g/mol |
| LogP | 2.0334 |
| Topological Polar Surface Area | 108.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.03546 |
| Heavy Atoms | 23 |
| Complexity | 846.1726 |
Chemical Identifiers
| CAS Number | 110129-23-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(S(=O)(=O)C(C3=CC=CC=C32)C(=O)O)C(=O)O |
Product Overview
Dibenzo(c,e)thiepin-5,7-dicarboxylic acid, 5,7-dihydro-, 6,6-dioxide (CAS 110129-23-2), with molecular formula C16H12O6S and molecular weight 332.04 g/mol. IUPAC: 6,6-dioxo-5,7-dihydrobenzo[d][2]benzothiepine-5,7-dicarboxylic acid.
Chemical Property Profile of Dibenzo(c,e)thiepin-5,7-dicarboxylic acid, 5,7-dihydro-, 6,6-dioxide
Property Insights of Dibenzo(c,e)thiepin-5,7-dicarboxylic acid, 5,7-dihydro-, 6,6-dioxide
The XLogP value of 2.0334 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibenzo(c,e)thiepin-5,7-dicarboxylic acid, 5,7-dihydro-, 6,6-dioxide. The TPSA of 108.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibenzo(c,e)thiepin-5,7-dicarboxylic acid, 5,7-dihydro-, 6,6-dioxide. Following Lipinski's Rule of Five, Dibenzo(c,e)thiepin-5,7-dicarboxylic acid, 5,7-dihydro-, 6,6-dioxide has 2 hydrogen bond donor(s) and 4 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 Dibenzo(c,e)thiepin-5,7-dicarboxylic acid, 5,7-dihydro-, 6,6-dioxide?
The CAS number of Dibenzo(c,e)thiepin-5,7-dicarboxylic acid, 5,7-dihydro-, 6,6-dioxide is 110129-23-2.
What is the molecular formula of Dibenzo(c,e)thiepin-5,7-dicarboxylic acid, 5,7-dihydro-, 6,6-dioxide?
The molecular formula of Dibenzo(c,e)thiepin-5,7-dicarboxylic acid, 5,7-dihydro-, 6,6-dioxide is C16H12O6S.
What is the molecular weight of Dibenzo(c,e)thiepin-5,7-dicarboxylic acid, 5,7-dihydro-, 6,6-dioxide?
The molecular weight of Dibenzo(c,e)thiepin-5,7-dicarboxylic acid, 5,7-dihydro-, 6,6-dioxide is 332.04 g/mol.
Where can I buy Dibenzo(c,e)thiepin-5,7-dicarboxylic acid, 5,7-dihydro-, 6,6-dioxide?
You can request a quote for Dibenzo(c,e)thiepin-5,7-dicarboxylic acid, 5,7-dihydro-, 6,6-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzo(c,e)thiepin-5,7-dicarboxylic acid, 5,7-dihydro-, 6,6-dioxide?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo(c,e)thiepin-5,7-dicarboxylic acid, 5,7-dihydro-, 6,6-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.