RefChem:371908
TL;DR: RefChem:371908 (CAS 41932-10-9) is a chemical compound with molecular formula C20H25ClN2O3S2 and molecular weight 440.10 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;hydrochloride
Also Known As: Piperazine, 1-(10,11-dihydro-8-(methylsulfinyl)dibenzo(b,f)thiepin-10-yl)-4-methyl-, S,4-dioxide, hydrochloride, hydrate (1:1:1), 2-(Methanesulfinyl)-11-(4-methyl-4-oxo-4lambda~5~-piperazin-1-yl)-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f]thiepin-5-one--hydrogen chloride (1/1), 5-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-3-methylsulfinyl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide hydrochloride, RefChem:371908
| Molecular Formula | C20H25ClN2O3S2 |
|---|---|
| Molecular Weight | 440.10 g/mol |
| LogP | 2.8697 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 440.09952 |
| Heavy Atoms | 28 |
| Complexity | 925.4169 |
Chemical Identifiers
| CAS Number | 41932-10-9 |
|---|---|
| SMILES | C[N+]1(CCN(CC1)C2CC3=CC=CC=C3S(=O)C4=C2C=C(C=C4)S(=O)C)[O-].Cl |
Product Overview
RefChem:371908 (CAS 41932-10-9), with molecular formula C20H25ClN2O3S2 and molecular weight 440.10 g/mol. IUPAC: 5-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-3-methylsulfinyl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide;hydrochloride.
Chemical Property Profile of RefChem:371908
Property Insights of RefChem:371908
The XLogP value of 2.8697 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:371908. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:371908. Following Lipinski's Rule of Five, RefChem:371908 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:371908?
The CAS number of RefChem:371908 is 41932-10-9.
What is the molecular formula of RefChem:371908?
The molecular formula of RefChem:371908 is C20H25ClN2O3S2.
What is the molecular weight of RefChem:371908?
The molecular weight of RefChem:371908 is 440.10 g/mol.
Where can I buy RefChem:371908?
You can request a quote for RefChem:371908 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:371908?
Yes, KEHONG BIO provides custom synthesis services for RefChem:371908 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.