Sulforaphen
TL;DR: Sulforaphen (CAS 2404-46-8) is a chemical compound with molecular formula C6H9NOS2 and molecular weight 175.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-isothiocyanato-1-methylsulfinylbut-1-ene
Also Known As: Sulforaphene, Sulforaphen, Raphanin, Sulphoraphen, Sativin
| Molecular Formula | C6H9NOS2 |
|---|---|
| Molecular Weight | 175.01 g/mol |
| LogP | 1.3715 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 175.01256 |
| Heavy Atoms | 10 |
| Complexity | 182.18684 |
Chemical Identifiers
| CAS Number | 2404-46-8 |
|---|---|
| SMILES | CS(=O)/C=C/CCN=C=S |
Product Overview
Sulforaphen (CAS 2404-46-8), with molecular formula C6H9NOS2 and molecular weight 175.01 g/mol. IUPAC: (E)-4-isothiocyanato-1-methylsulfinylbut-1-ene.
Chemical Property Profile of Sulforaphen
Property Insights of Sulforaphen
The XLogP value of 1.3715 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sulforaphen. With a topological polar surface area (TPSA) of 29.43 Ų, Sulforaphen exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sulforaphen 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 Sulforaphen?
The CAS number of Sulforaphen is 2404-46-8.
What is the molecular formula of Sulforaphen?
The molecular formula of Sulforaphen is C6H9NOS2.
What is the molecular weight of Sulforaphen?
The molecular weight of Sulforaphen is 175.01 g/mol.
Where can I buy Sulforaphen?
You can request a quote for Sulforaphen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulforaphen?
Yes, KEHONG BIO provides custom synthesis services for Sulforaphen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.