4,5,9-三硫杂十二碳-1,6,11-三烯9-氧化物
TL;DR: 4,5,9-三硫杂十二碳-1,6,11-三烯9-氧化物 (CAS 92285-01-3) 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.
4,5,9-三硫杂十二碳-1,6,11-三烯9-氧化物
1-(prop-2-enyldisulfanyl)-3-prop-2-enylsulfinylprop-1-ene
Also Known As: Ajoene, Acuagel; Adjoen, (E/Z)-Ajoene, 4,5,9-Trithiadodeca-1,6,11-triene 9-oxide, NCI60_004938
| Molecular Formula | C9H14OS3 |
|---|---|
| Molecular Weight | 234.02 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 234.02068 |
| Heavy Atoms | 13 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 92285-01-3 |
|---|---|
| SMILES | C=CCSSC=CCS(=O)CC=C |
| InChIKey | IXELFRRANAOWSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5,9-三硫杂十二碳-1,6,11-三烯9-氧化物 (CAS 92285-01-3), with molecular formula C9H14OS3 and molecular weight 234.02 g/mol. IUPAC: 1-(prop-2-enyldisulfanyl)-3-prop-2-enylsulfinylprop-1-ene.
Chemical Property Profile of 4,5,9-三硫杂十二碳-1,6,11-三烯9-氧化物
Property Insights of 4,5,9-三硫杂十二碳-1,6,11-三烯9-氧化物
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5,9-三硫杂十二碳-1,6,11-三烯9-氧化物. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5,9-三硫杂十二碳-1,6,11-三烯9-氧化物. Following Lipinski's Rule of Five, 4,5,9-三硫杂十二碳-1,6,11-三烯9-氧化物 has 0 hydrogen bond donor(s) and 4 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 4,5,9-三硫杂十二碳-1,6,11-三烯9-氧化物?
The CAS number of 4,5,9-三硫杂十二碳-1,6,11-三烯9-氧化物 is 92285-01-3.
What is the molecular formula of 4,5,9-三硫杂十二碳-1,6,11-三烯9-氧化物?
The molecular formula of 4,5,9-三硫杂十二碳-1,6,11-三烯9-氧化物 is C9H14OS3.
What is the molecular weight of 4,5,9-三硫杂十二碳-1,6,11-三烯9-氧化物?
The molecular weight of 4,5,9-三硫杂十二碳-1,6,11-三烯9-氧化物 is 234.02 g/mol.
Where can I buy 4,5,9-三硫杂十二碳-1,6,11-三烯9-氧化物?
You can request a quote for 4,5,9-三硫杂十二碳-1,6,11-三烯9-氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,9-三硫杂十二碳-1,6,11-三烯9-氧化物?
Yes, KEHONG BIO provides custom synthesis services for 4,5,9-三硫杂十二碳-1,6,11-三烯9-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.