Dibenzo(b,f)thiepin-10(11H)-one, 6-(3-(1-piperidinyl)propoxy)-, hydrochloride
TL;DR: Dibenzo(b,f)thiepin-10(11H)-one, 6-(3-(1-piperidinyl)propoxy)-, hydrochloride (CAS 125981-93-3) is a chemical compound with molecular formula C22H26ClNO2S and molecular weight 403.13727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-piperidin-1-ylpropoxy)-6H-benzo[b][1]benzothiepin-5-one;hydrochloride
Also Known As: 6-(3-(Piperidino)propoxy)dibenzo(b,f)theipin-10(11H)-one hydrochloride, Dibenzo(b,f)thiepin-10(11H)-one, 6-(3-(1-piperidinyl)propoxy)-, hydrochloride, 1-(3-piperidin-1-ylpropoxy)-6H-benzo[b][1]benzothiepin-5-one hydrochloride, 6-[3-(Piperidin-1-yl)propoxy]dibenzo[b,f]thiepin-10(11H)-one--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C22H26ClNO2S |
| Molecular Weight | 403.13727 g/mol |
| XLogP | 5.2532 |
| Topological Polar Surface Area (TPSA) | 54.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.13727 Da |
| Heavy Atoms | 27 |
| Complexity | 465.0 |
| SMILES | C1CCN(CC1)CCCOC2=CC=CC3=C2SC4=CC=CC=C4CC3=O.Cl |
| InChIKey | IKHQNKJDMHESJW-UHFFFAOYSA-N |
Chemical Property Profile of Dibenzo(b,f)thiepin-10(11H)-one, 6-(3-(1-piperidinyl)propoxy)-, hydrochloride
Property Insights of Dibenzo(b,f)thiepin-10(11H)-one, 6-(3-(1-piperidinyl)propoxy)-, hydrochloride
The XLogP value of 5.2532 indicates that Dibenzo(b,f)thiepin-10(11H)-one, 6-(3-(1-piperidinyl)propoxy)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.8 Ų, Dibenzo(b,f)thiepin-10(11H)-one, 6-(3-(1-piperidinyl)propoxy)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzo(b,f)thiepin-10(11H)-one, 6-(3-(1-piperidinyl)propoxy)-, hydrochloride has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Dibenzo(b,f)thiepin-10(11H)-one, 6-(3-(1-piperidinyl)propoxy)-, hydrochloride?
The CAS number of Dibenzo(b,f)thiepin-10(11H)-one, 6-(3-(1-piperidinyl)propoxy)-, hydrochloride is 125981-93-3.
What is the molecular formula of Dibenzo(b,f)thiepin-10(11H)-one, 6-(3-(1-piperidinyl)propoxy)-, hydrochloride?
The molecular formula of Dibenzo(b,f)thiepin-10(11H)-one, 6-(3-(1-piperidinyl)propoxy)-, hydrochloride is C22H26ClNO2S.
What is the molecular weight of Dibenzo(b,f)thiepin-10(11H)-one, 6-(3-(1-piperidinyl)propoxy)-, hydrochloride?
The molecular weight of Dibenzo(b,f)thiepin-10(11H)-one, 6-(3-(1-piperidinyl)propoxy)-, hydrochloride is 403.13727 g/mol.
Where can I buy Dibenzo(b,f)thiepin-10(11H)-one, 6-(3-(1-piperidinyl)propoxy)-, hydrochloride?
You can request a quote for Dibenzo(b,f)thiepin-10(11H)-one, 6-(3-(1-piperidinyl)propoxy)-, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dibenzo(b,f)thiepin-10(11H)-one, 6-(3-(1-piperidinyl)propoxy)-, hydrochloride?
Yes, CoreyChem provides custom synthesis services for Dibenzo(b,f)thiepin-10(11H)-one, 6-(3-(1-piperidinyl)propoxy)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.