1-Benzothiepin-5(2H)-one, 3,4-dihydro-4-(piperidinomethyl)-, hydrochloride
TL;DR: 1-Benzothiepin-5(2H)-one, 3,4-dihydro-4-(piperidinomethyl)-, hydrochloride (CAS 21609-71-2) is a chemical compound with molecular formula C16H22ClNOS and molecular weight 311.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzothiepin-5-one chloride
Also Known As: 3,4-Dihydro-4-(piperidinomethyl)-1-benzothiepin-5(2H)-one hydrochloride, 4-(Piperidinomethyl)-2,3,4,5-tetrahydro-1-benzothiepin-5-one hydrochloride, 1-BENZOTHIEPIN-5(2H)-ONE, 3,4-DIHYDRO-4-(PIPERIDINOMETHYL)-, HYDROCHLORIDE, 4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzothiepin-5-onechloride, 4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzothiepin-5-one chloride
| Molecular Formula | C16H22ClNOS |
|---|---|
| Molecular Weight | 311.11 g/mol |
| LogP | -0.95 |
| Topological Polar Surface Area | 46.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.11105 |
| Heavy Atoms | 20 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 21609-71-2 |
|---|---|
| SMILES | C1CC[NH+](CC1)CC2CCSC3=CC=CC=C3C2=O.[Cl-] |
| InChIKey | PWNQUMRGYLJING-UHFFFAOYSA-N |
Product Overview
1-Benzothiepin-5(2H)-one, 3,4-dihydro-4-(piperidinomethyl)-, hydrochloride (CAS 21609-71-2), with molecular formula C16H22ClNOS and molecular weight 311.11 g/mol. IUPAC: 4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzothiepin-5-one chloride.
Chemical Property Profile of 1-Benzothiepin-5(2H)-one, 3,4-dihydro-4-(piperidinomethyl)-, hydrochloride
Property Insights of 1-Benzothiepin-5(2H)-one, 3,4-dihydro-4-(piperidinomethyl)-, hydrochloride
The XLogP value of -0.95 indicates that 1-Benzothiepin-5(2H)-one, 3,4-dihydro-4-(piperidinomethyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.8 Ų, 1-Benzothiepin-5(2H)-one, 3,4-dihydro-4-(piperidinomethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzothiepin-5(2H)-one, 3,4-dihydro-4-(piperidinomethyl)-, hydrochloride has 1 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 1-Benzothiepin-5(2H)-one, 3,4-dihydro-4-(piperidinomethyl)-, hydrochloride?
The CAS number of 1-Benzothiepin-5(2H)-one, 3,4-dihydro-4-(piperidinomethyl)-, hydrochloride is 21609-71-2.
What is the molecular formula of 1-Benzothiepin-5(2H)-one, 3,4-dihydro-4-(piperidinomethyl)-, hydrochloride?
The molecular formula of 1-Benzothiepin-5(2H)-one, 3,4-dihydro-4-(piperidinomethyl)-, hydrochloride is C16H22ClNOS.
What is the molecular weight of 1-Benzothiepin-5(2H)-one, 3,4-dihydro-4-(piperidinomethyl)-, hydrochloride?
The molecular weight of 1-Benzothiepin-5(2H)-one, 3,4-dihydro-4-(piperidinomethyl)-, hydrochloride is 311.11 g/mol.
Where can I buy 1-Benzothiepin-5(2H)-one, 3,4-dihydro-4-(piperidinomethyl)-, hydrochloride?
You can request a quote for 1-Benzothiepin-5(2H)-one, 3,4-dihydro-4-(piperidinomethyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzothiepin-5(2H)-one, 3,4-dihydro-4-(piperidinomethyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzothiepin-5(2H)-one, 3,4-dihydro-4-(piperidinomethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.