![1-Decanethiol,10-[4-(trans-4-pentylcyclohexyl)phenoxy] structure](/static/products/402/402913-81-9.png)
1-Decanethiol,10-[4-(trans-4-pentylcyclohexyl)phenoxy]
TL;DR: 1-Decanethiol,10-[4-(trans-4-pentylcyclohexyl)phenoxy] (CAS 402913-81-9) is a chemical compound with molecular formula C21H26Cl2N6O2 and molecular weight 464.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridazine-3,6-dione;dihydrochloride
Also Known As: 1-Decanethiol,10-[4-(trans-4-pentylcyclohexyl)phenoxy], 1-phenyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridazine-3,6-dione Dihydrochloride, 1-phenyl-2-(3-(4-(pyrimidin-2-yl)piperazin-1-yl)propyl)-1,2-dihydropyridazine-3,6-dione dihydrochloride
| Molecular Formula | C21H26Cl2N6O2 |
|---|---|
| Molecular Weight | 464.15 g/mol |
| LogP | 1.8451 |
| Topological Polar Surface Area | 76.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 464.14944 |
| Heavy Atoms | 31 |
| Complexity | 1050.7152 |
Chemical Identifiers
| CAS Number | 402913-81-9 |
|---|---|
| SMILES | C1CN(CCN1CCCN2C(=O)C=CC(=O)N2C3=CC=CC=C3)C4=NC=CC=N4.Cl.Cl |
Product Overview
1-Decanethiol,10-[4-(trans-4-pentylcyclohexyl)phenoxy] (CAS 402913-81-9), with molecular formula C21H26Cl2N6O2 and molecular weight 464.15 g/mol. IUPAC: 1-phenyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridazine-3,6-dione;dihydrochloride.
Chemical Property Profile of 1-Decanethiol,10-[4-(trans-4-pentylcyclohexyl)phenoxy]
Property Insights of 1-Decanethiol,10-[4-(trans-4-pentylcyclohexyl)phenoxy]
The XLogP value of 1.8451 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Decanethiol,10-[4-(trans-4-pentylcyclohexyl)phenoxy]. The TPSA of 76.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Decanethiol,10-[4-(trans-4-pentylcyclohexyl)phenoxy]. Following Lipinski's Rule of Five, 1-Decanethiol,10-[4-(trans-4-pentylcyclohexyl)phenoxy] has 0 hydrogen bond donor(s) and 6 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-Decanethiol,10-[4-(trans-4-pentylcyclohexyl)phenoxy]?
The CAS number of 1-Decanethiol,10-[4-(trans-4-pentylcyclohexyl)phenoxy] is 402913-81-9.
What is the molecular formula of 1-Decanethiol,10-[4-(trans-4-pentylcyclohexyl)phenoxy]?
The molecular formula of 1-Decanethiol,10-[4-(trans-4-pentylcyclohexyl)phenoxy] is C21H26Cl2N6O2.
What is the molecular weight of 1-Decanethiol,10-[4-(trans-4-pentylcyclohexyl)phenoxy]?
The molecular weight of 1-Decanethiol,10-[4-(trans-4-pentylcyclohexyl)phenoxy] is 464.15 g/mol.
Where can I buy 1-Decanethiol,10-[4-(trans-4-pentylcyclohexyl)phenoxy]?
You can request a quote for 1-Decanethiol,10-[4-(trans-4-pentylcyclohexyl)phenoxy] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Decanethiol,10-[4-(trans-4-pentylcyclohexyl)phenoxy]?
Yes, KEHONG BIO provides custom synthesis services for 1-Decanethiol,10-[4-(trans-4-pentylcyclohexyl)phenoxy] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.