6,11-二氢二苯并(b,e)硫杂䓬5,5-二氧化物
TL;DR: 6,11-二氢二苯并(b,e)硫杂䓬5,5-二氧化物 (CAS 23772-26-1) is a chemical compound with molecular formula C14H12O2S and molecular weight 244.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,11-二氢二苯并(b,e)硫杂䓬5,5-二氧化物
6,11-dihydrobenzo[c][1]benzothiepine 5,5-dioxide
Also Known As: Dibenzo(b,e)thiepin, 6,11-dihydro-, 5,5-dioxide, Dibenzo[b,e]thiepin,6,11-dihydro-5,5-dioxide-, 6,11-dihydrobenzo[c][1]benzothiepine 5,5-dioxide, 6,11-Dihydro-5H-5lambda~6~-dibenzo[b,e]thiepine-5,5-dione
| Molecular Formula | C14H12O2S |
|---|---|
| Molecular Weight | 244.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 244.0558 |
| Heavy Atoms | 17 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 23772-26-1 |
|---|---|
| SMILES | C1C2=CC=CC=C2CS(=O)(=O)C3=CC=CC=C31 |
| InChIKey | UKFFDNZGCSDIBE-UHFFFAOYSA-N |
Product Overview
6,11-二氢二苯并(b,e)硫杂䓬5,5-二氧化物 (CAS 23772-26-1), with molecular formula C14H12O2S and molecular weight 244.06 g/mol. IUPAC: 6,11-dihydrobenzo[c][1]benzothiepine 5,5-dioxide.
Chemical Property Profile of 6,11-二氢二苯并(b,e)硫杂䓬5,5-二氧化物
Property Insights of 6,11-二氢二苯并(b,e)硫杂䓬5,5-二氧化物
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,11-二氢二苯并(b,e)硫杂䓬5,5-二氧化物. With a topological polar surface area (TPSA) of 42.5 Ų, 6,11-二氢二苯并(b,e)硫杂䓬5,5-二氧化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,11-二氢二苯并(b,e)硫杂䓬5,5-二氧化物 has 0 hydrogen bond donor(s) and 2 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 6,11-二氢二苯并(b,e)硫杂䓬5,5-二氧化物?
The CAS number of 6,11-二氢二苯并(b,e)硫杂䓬5,5-二氧化物 is 23772-26-1.
What is the molecular formula of 6,11-二氢二苯并(b,e)硫杂䓬5,5-二氧化物?
The molecular formula of 6,11-二氢二苯并(b,e)硫杂䓬5,5-二氧化物 is C14H12O2S.
What is the molecular weight of 6,11-二氢二苯并(b,e)硫杂䓬5,5-二氧化物?
The molecular weight of 6,11-二氢二苯并(b,e)硫杂䓬5,5-二氧化物 is 244.06 g/mol.
Where can I buy 6,11-二氢二苯并(b,e)硫杂䓬5,5-二氧化物?
You can request a quote for 6,11-二氢二苯并(b,e)硫杂䓬5,5-二氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,11-二氢二苯并(b,e)硫杂䓬5,5-二氧化物?
Yes, KEHONG BIO provides custom synthesis services for 6,11-二氢二苯并(b,e)硫杂䓬5,5-二氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.