RefChem:1096121
TL;DR: RefChem:1096121 (CAS 174198-19-7) is a chemical compound with molecular formula C22H40Cl2N2OS and molecular weight 450.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-2,9-di(piperidin-1-yl)-13λ4-thiabicyclo[8.2.1]tridec-5-ene 13-oxide;dihydrochloride
Also Known As: N-benzyl-1,5,9-triazacyclododecane, (5Z)-2,9-di(piperidin-1-yl)-13, 2,9-Dipiperidino-13-thiabicyclo(8.2.1)tridec-5-ene 13-oxide dihydrochloride, Piperidine, 1,1'-(13-oxido-13-thiabicyclo(8.2.1)tridec-5-ene-2,9-diyl)bis-, dihydrochloride, 1,1'-(13-Oxido-13-thiabicyclo(8.2.1)tridec-5-ene-2,9-diyl)bispiperidine dihydrochloride
| Molecular Formula | C22H40Cl2N2OS |
|---|---|
| Molecular Weight | 450.22 g/mol |
| LogP | 4.9489 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 450.22385 |
| Heavy Atoms | 28 |
| Complexity | 464.76523 |
Chemical Identifiers
| CAS Number | 174198-19-7 |
|---|---|
| SMILES | C1CCN(CC1)C2CC/C=C\CCC(C3CCC2S3=O)N4CCCCC4.Cl.Cl |
Product Overview
RefChem:1096121 (CAS 174198-19-7), with molecular formula C22H40Cl2N2OS and molecular weight 450.22 g/mol. IUPAC: (5Z)-2,9-di(piperidin-1-yl)-13λ4-thiabicyclo[8.2.1]tridec-5-ene 13-oxide;dihydrochloride.
Chemical Property Profile of RefChem:1096121
Property Insights of RefChem:1096121
The XLogP value of 4.9489 indicates that RefChem:1096121 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, RefChem:1096121 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1096121 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 RefChem:1096121?
The CAS number of RefChem:1096121 is 174198-19-7.
What is the molecular formula of RefChem:1096121?
The molecular formula of RefChem:1096121 is C22H40Cl2N2OS.
What is the molecular weight of RefChem:1096121?
The molecular weight of RefChem:1096121 is 450.22 g/mol.
Where can I buy RefChem:1096121?
You can request a quote for RefChem:1096121 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096121?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096121 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.