阿藿烯
TL;DR: 阿藿烯 (CAS 92284-99-6) is a chemical compound with molecular formula C9H14OS3 and molecular weight 234.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿藿烯
(E)-1-(prop-2-enyldisulfanyl)-3-prop-2-enylsulfinylprop-1-ene
Also Known As: Ajoene, (E)-Ajoene, trans-Ajoene, E-Ajoene, trans-Ajoen
| Molecular Formula | C9H14OS3 |
|---|---|
| Molecular Weight | 234.02 g/mol |
| LogP | 3.0022 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 234.02068 |
| Heavy Atoms | 13 |
| Complexity | 199.0365 |
Chemical Identifiers
| CAS Number | 92284-99-6 |
|---|---|
| SMILES | C=CCSS/C=C/CS(=O)CC=C |
Product Overview
阿藿烯 (CAS 92284-99-6), with molecular formula C9H14OS3 and molecular weight 234.02 g/mol. IUPAC: (E)-1-(prop-2-enyldisulfanyl)-3-prop-2-enylsulfinylprop-1-ene.
Chemical Property Profile of 阿藿烯
Property Insights of 阿藿烯
The XLogP value of 3.0022 indicates that 阿藿烯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 阿藿烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 阿藿烯 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 阿藿烯?
The CAS number of 阿藿烯 is 92284-99-6.
What is the molecular formula of 阿藿烯?
The molecular formula of 阿藿烯 is C9H14OS3.
What is the molecular weight of 阿藿烯?
The molecular weight of 阿藿烯 is 234.02 g/mol.
Where can I buy 阿藿烯?
You can request a quote for 阿藿烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿藿烯?
Yes, KEHONG BIO provides custom synthesis services for 阿藿烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.