1-Benzyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine dihydrochloride
TL;DR: 1-Benzyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine dihydrochloride (CAS 24727-18-2) is a chemical compound with molecular formula C21H28Cl2N2S and molecular weight 410.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine;dihydrochloride
Also Known As: 1-Benzyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine dihydrochloride, 1-Benzyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine--hydrogen chloride (1/2), Piperazine, 1-benzyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, dihydrochloride, 1-benzyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine,dihydrochloride, RefChem:1054973
| Molecular Formula | C21H28Cl2N2S |
|---|---|
| Molecular Weight | 410.14 g/mol |
| LogP | 5.275 |
| Topological Polar Surface Area | 31.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.13504 |
| Heavy Atoms | 26 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 24727-18-2 |
|---|---|
| SMILES | C1CC(C2=CC=CC=C2SC1)N3CCN(CC3)CC4=CC=CC=C4.Cl.Cl |
| InChIKey | BSMYVMVNJQNKHF-UHFFFAOYSA-N |
Product Overview
1-Benzyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine dihydrochloride (CAS 24727-18-2), with molecular formula C21H28Cl2N2S and molecular weight 410.14 g/mol. IUPAC: 1-benzyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine;dihydrochloride.
Chemical Property Profile of 1-Benzyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine dihydrochloride
Property Insights of 1-Benzyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine dihydrochloride
The XLogP value of 5.275 indicates that 1-Benzyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.8 Ų, 1-Benzyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine dihydrochloride has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Benzyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine dihydrochloride?
The CAS number of 1-Benzyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine dihydrochloride is 24727-18-2.
What is the molecular formula of 1-Benzyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine dihydrochloride?
The molecular formula of 1-Benzyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine dihydrochloride is C21H28Cl2N2S.
What is the molecular weight of 1-Benzyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine dihydrochloride?
The molecular weight of 1-Benzyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine dihydrochloride is 410.14 g/mol.
Where can I buy 1-Benzyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine dihydrochloride?
You can request a quote for 1-Benzyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.