C19H22N2OS.2ClH.1/2H2O
TL;DR: C19H22N2OS.2ClH.1/2H2O (CAS 41932-00-7) is a chemical compound with molecular formula C19H24Cl2N2OS and molecular weight 398.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methyl-1-oxidopiperazin-1-ium;dihydrochloride
Also Known As: C19H22N2OS.2ClH.1/2H2O, 1-(10,11-Dihydrodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine 4-oxide HCl hydrate (2:4:1), C19-H22-N2-O-S.2Cl-H.1/2H2-O, Piperazine, 1-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, 4-oxide, hydrochloride, hydrate (2:4:1), 4-(10,11-Dihydrodibenzo[b,f]thiepin-10-yl)-1-methyl-1-oxo-1lambda~5~-piperazine--hydrogen chloride (1/2)
| Molecular Formula | C19H24Cl2N2OS |
|---|---|
| Molecular Weight | 398.10 g/mol |
| LogP | 4.5386 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 398.09863 |
| Heavy Atoms | 25 |
| Complexity | 716.0752 |
Chemical Identifiers
| CAS Number | 41932-00-7 |
|---|---|
| SMILES | C[N+]1(CCN(CC1)C2CC3=CC=CC=C3SC4=CC=CC=C24)[O-].Cl.Cl |
Product Overview
C19H22N2OS.2ClH.1/2H2O (CAS 41932-00-7), with molecular formula C19H24Cl2N2OS and molecular weight 398.10 g/mol. IUPAC: 4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methyl-1-oxidopiperazin-1-ium;dihydrochloride.
Chemical Property Profile of C19H22N2OS.2ClH.1/2H2O
Property Insights of C19H22N2OS.2ClH.1/2H2O
The XLogP value of 4.5386 indicates that C19H22N2OS.2ClH.1/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, C19H22N2OS.2ClH.1/2H2O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C19H22N2OS.2ClH.1/2H2O has 0 hydrogen bond donor(s) and 3 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 C19H22N2OS.2ClH.1/2H2O?
The CAS number of C19H22N2OS.2ClH.1/2H2O is 41932-00-7.
What is the molecular formula of C19H22N2OS.2ClH.1/2H2O?
The molecular formula of C19H22N2OS.2ClH.1/2H2O is C19H24Cl2N2OS.
What is the molecular weight of C19H22N2OS.2ClH.1/2H2O?
The molecular weight of C19H22N2OS.2ClH.1/2H2O is 398.10 g/mol.
Where can I buy C19H22N2OS.2ClH.1/2H2O?
You can request a quote for C19H22N2OS.2ClH.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H22N2OS.2ClH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C19H22N2OS.2ClH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.