Avirosan
TL;DR: Avirosan (CAS 12701-69-8) is a chemical compound with molecular formula C25H49N6O3PS3 and molecular weight 608.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-dipropoxyphosphinothioylsulfanyl-1-(2-methylpiperidin-1-yl)ethanone;4-N-ethyl-2-N-(3-methylbutan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
Also Known As: Avirosan, Phosphorodithioic acid, S-(2-(2-methyl-1-piperidinyl)-2-oxoethyl) O,O-dipropyl ester, mixt. with N-(1,2-dimethylpropyl)-N'-ethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine, 2-dipropoxyphosphinothioylsulfanyl-1-(2-methylpiperidin-1-yl)ethanone; 4-N-ethyl-2-N-(3-methylbutan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine, Phosphorodithioic acid, S-[2-(2-methyl-1-piperidinyl)-2-oxoethyl] O,O-dipropyl ester, compd. with N^2-(1,2-dimethylpropyl)-N^4-ethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine (1:1), S-[2-(2-Methylpiperidin-1-yl)-2-oxoethyl] O,O-dipropyl phosphorodithioate--N~4~-ethyl-N~2~-(3-methylbutan-2-yl)-6-(methylsulfanyl)-1,3,5-triazine-2,4(1H,3H)-diimine (1/1)
| Molecular Formula | C25H49N6O3PS3 |
|---|---|
| Molecular Weight | 608.28 g/mol |
| LogP | 6.68 |
| Topological Polar Surface Area | 184.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 15 |
| Exact Mass | 608.2766 |
| Heavy Atoms | 38 |
| Complexity | 570.0 |
Chemical Identifiers
| CAS Number | 12701-69-8 |
|---|---|
| SMILES | CCCOP(=S)(OCCC)SCC(=O)N1CCCCC1C.CCNC1=NC(=NC(=N1)SC)NC(C)C(C)C |
| InChIKey | ZQYNREJUDSMZQG-UHFFFAOYSA-N |
Product Overview
Avirosan (CAS 12701-69-8), with molecular formula C25H49N6O3PS3 and molecular weight 608.28 g/mol. IUPAC: 2-dipropoxyphosphinothioylsulfanyl-1-(2-methylpiperidin-1-yl)ethanone;4-N-ethyl-2-N-(3-methylbutan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of Avirosan
Property Insights of Avirosan
The XLogP value of 6.68 indicates that Avirosan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 184.0 Ų indicates high polarity, suggesting Avirosan may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Avirosan has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Avirosan?
The CAS number of Avirosan is 12701-69-8.
What is the molecular formula of Avirosan?
The molecular formula of Avirosan is C25H49N6O3PS3.
What is the molecular weight of Avirosan?
The molecular weight of Avirosan is 608.28 g/mol.
Where can I buy Avirosan?
You can request a quote for Avirosan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Avirosan?
Yes, KEHONG BIO provides custom synthesis services for Avirosan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.