大蒜素
TL;DR: 大蒜素 (CAS 539-86-6) is a chemical compound with molecular formula C6H10OS2 and molecular weight 162.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
大蒜素
3-prop-2-enylsulfinylsulfanylprop-1-ene
Also Known As: Allicin, Diallyl thiosulfinate, allimin, Allimed, Diallyldisulfid-S-oxid
| Molecular Formula | C6H10OS2 |
|---|---|
| Molecular Weight | 162.02 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 162.0173 |
| Heavy Atoms | 9 |
| Complexity | 120.0 |
| Melting Point | 25 °C |
| Solubility | 24 mg/mL at 10 °C |
Chemical Identifiers
| CAS Number | 539-86-6 |
|---|---|
| SMILES | C=CCSS(=O)CC=C |
| InChIKey | JDLKFOPOAOFWQN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
大蒜素 (CAS 539-86-6), with molecular formula C6H10OS2 and molecular weight 162.02 g/mol. IUPAC: 3-prop-2-enylsulfinylsulfanylprop-1-ene.
Chemical Property Profile of 大蒜素
Property Insights of 大蒜素
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 大蒜素. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 大蒜素. Following Lipinski's Rule of Five, 大蒜素 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 大蒜素?
The CAS number of 大蒜素 is 539-86-6.
What is the molecular formula of 大蒜素?
The molecular formula of 大蒜素 is C6H10OS2.
What is the molecular weight of 大蒜素?
The molecular weight of 大蒜素 is 162.02 g/mol.
Where can I buy 大蒜素?
You can request a quote for 大蒜素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 大蒜素?
Yes, KEHONG BIO provides custom synthesis services for 大蒜素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.