RefChem:371906
TL;DR: RefChem:371906 (CAS 41932-28-9) is a chemical compound with molecular formula C20H24N2O3S2 and molecular weight 404.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-3-methylsulfinyl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide
Also Known As: Piperazine, 1-(10,11-dihydro-8-(methylsulfinyl)-5-oxo-dibenzo(b,f)thiepin-10-yl)-4-methyl-, 4-N-oxide, 10-[(4-Methyl-4-oxylatopiperazin-4-ium)-1-yl]-10,11-dihydro-8-(methylsulfinyl)dibenzo[b,f]thiepin 5-oxide, 2-(Methanesulfinyl)-11-(4-methyl-4-oxo-4lambda~5~-piperazin-1-yl)-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f]thiepin-5-one, 4-{6-methanesulfinyl-2-oxido-2-thiatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ium-9-yl}-1-methylpiperazin-1-ium-1-olate, 5-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-3-methylsulfinyl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide
| Molecular Formula | C20H24N2O3S2 |
|---|---|
| Molecular Weight | 404.12 g/mol |
| LogP | 2.4479 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 404.12283 |
| Heavy Atoms | 27 |
| Complexity | 919.1929 |
Chemical Identifiers
| CAS Number | 41932-28-9 |
|---|---|
| SMILES | C[N+]1(CCN(CC1)C2CC3=CC=CC=C3S(=O)C4=C2C=C(C=C4)S(=O)C)[O-] |
Product Overview
RefChem:371906 (CAS 41932-28-9), with molecular formula C20H24N2O3S2 and molecular weight 404.12 g/mol. IUPAC: 5-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-3-methylsulfinyl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide.
Chemical Property Profile of RefChem:371906
Property Insights of RefChem:371906
The XLogP value of 2.4479 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:371906. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:371906. Following Lipinski's Rule of Five, RefChem:371906 has 0 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 RefChem:371906?
The CAS number of RefChem:371906 is 41932-28-9.
What is the molecular formula of RefChem:371906?
The molecular formula of RefChem:371906 is C20H24N2O3S2.
What is the molecular weight of RefChem:371906?
The molecular weight of RefChem:371906 is 404.12 g/mol.
Where can I buy RefChem:371906?
You can request a quote for RefChem:371906 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:371906?
Yes, KEHONG BIO provides custom synthesis services for RefChem:371906 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.