Ccris 2706
TL;DR: Ccris 2706 (CAS 68279-00-5) is a chemical compound with molecular formula C13H25ClN2S and molecular weight 276.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-(octylsulfanylmethyl)imidazol-1-ium chloride
Also Known As: IPO 3811, 1-methyl-3-(octylsulfanylmethyl)imidazol-1-ium chloride, 3-Methyl-1-[(octylsulfanyl)methyl]-1H-imidazol-3-ium chloride
| Molecular Formula | C13H25ClN2S |
|---|---|
| Molecular Weight | 276.14 g/mol |
| LogP | 0.37 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 276.1427 |
| Heavy Atoms | 17 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 68279-00-5 |
|---|---|
| SMILES | CCCCCCCCSCN1C=C[N+](=C1)C.[Cl-] |
| InChIKey | SENXYYFWWUDJKG-UHFFFAOYSA-M |
Product Overview
Ccris 2706 (CAS 68279-00-5), with molecular formula C13H25ClN2S and molecular weight 276.14 g/mol. IUPAC: 1-methyl-3-(octylsulfanylmethyl)imidazol-1-ium chloride.
Chemical Property Profile of Ccris 2706
Property Insights of Ccris 2706
The XLogP value of 0.37 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ccris 2706. With a topological polar surface area (TPSA) of 34.1 Ų, Ccris 2706 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ccris 2706 has 0 hydrogen bond donor(s) and 2 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 Ccris 2706?
The CAS number of Ccris 2706 is 68279-00-5.
What is the molecular formula of Ccris 2706?
The molecular formula of Ccris 2706 is C13H25ClN2S.
What is the molecular weight of Ccris 2706?
The molecular weight of Ccris 2706 is 276.14 g/mol.
Where can I buy Ccris 2706?
You can request a quote for Ccris 2706 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ccris 2706?
Yes, KEHONG BIO provides custom synthesis services for Ccris 2706 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.