C21H23NO2S.ClH.1/2H2O
TL;DR: C21H23NO2S.ClH.1/2H2O (CAS 125981-91-1) is a chemical compound with molecular formula C21H24ClNO2S and molecular weight 389.12164 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-piperidin-1-ylethoxy)-6H-benzo[b][1]benzothiepin-5-one;hydrochloride
Also Known As: C21H23NO2S.ClH.1/2H2O, Dibenzo(b,f)thiepin-10(11H)-one, 6-(2-(1-piperidinyl)ethoxy)-, hydrochloride, hydrate (2:2:1), 6-(2-(Piperidino)ethoxy)dibenzo(b,f)thiepin-10(11H)-one hydrochyloride hemihydrate, C21-H23-N-O2-S.Cl-H.1/2H2-O, 1-(2-piperidin-1-ylethoxy)-6H-benzo[b][1]benzothiepin-5-one hydrochloride
Technical Specifications
| Molecular Formula | C21H24ClNO2S |
| Molecular Weight | 389.12164 g/mol |
| XLogP | 4.8631 |
| Topological Polar Surface Area (TPSA) | 54.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.12164 Da |
| Heavy Atoms | 26 |
| Complexity | 451.0 |
| SMILES | C1CCN(CC1)CCOC2=CC=CC3=C2SC4=CC=CC=C4CC3=O.Cl |
| InChIKey | AFWWWGAGTYVBAT-UHFFFAOYSA-N |
Chemical Property Profile of C21H23NO2S.ClH.1/2H2O
Property Insights of C21H23NO2S.ClH.1/2H2O
The XLogP value of 4.8631 indicates that C21H23NO2S.ClH.1/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.8 Ų, C21H23NO2S.ClH.1/2H2O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C21H23NO2S.ClH.1/2H2O has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C21H23NO2S.ClH.1/2H2O?
The CAS number of C21H23NO2S.ClH.1/2H2O is 125981-91-1.
What is the molecular formula of C21H23NO2S.ClH.1/2H2O?
The molecular formula of C21H23NO2S.ClH.1/2H2O is C21H24ClNO2S.
What is the molecular weight of C21H23NO2S.ClH.1/2H2O?
The molecular weight of C21H23NO2S.ClH.1/2H2O is 389.12164 g/mol.
Where can I buy C21H23NO2S.ClH.1/2H2O?
You can request a quote for C21H23NO2S.ClH.1/2H2O directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C21H23NO2S.ClH.1/2H2O?
Yes, CoreyChem provides custom synthesis services for C21H23NO2S.ClH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.