Sulforaphane
TL;DR: Sulforaphane (CAS 4478-93-7) is a chemical compound with molecular formula C6H11NOS2 and molecular weight 177.02821 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-isothiocyanato-4-methylsulfinylbutane
Also Known As: sulforaphane, DL-Sulforaphane, Sulforafan, L-Sulforaphane, D,L-Sulforaphane
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H11NOS2 |
| Molecular Weight | 177.02821 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 80.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 177.02821 Da |
| Heavy Atoms | 10 |
| Complexity | 152.0 |
| SMILES | CS(=O)CCCCN=C=S |
| InChIKey | SUVMJBTUFCVSAD-UHFFFAOYSA-N |
Product Description
Applications: Sulforaphane is used in pharmaceutical synthesis routes and API production, as well as food, feed, and nutraceutical applications. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Sulforaphane (CAS 4478-93-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Sulforaphane (CAS 4478-93-7) has the molecular formula C6H11NOS2 and a molecular weight of 177.03 g/mol. It is also known as sulforaphane and DL-Sulforaphane.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Sulforaphane
Property Insights of Sulforaphane
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sulforaphane. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Sulforaphane. Following Lipinski's Rule of Five, Sulforaphane 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
What is the CAS number of Sulforaphane?
The CAS number of Sulforaphane is 4478-93-7.
What is the molecular formula of Sulforaphane?
The molecular formula of Sulforaphane is C6H11NOS2.
What is the molecular weight of Sulforaphane?
The molecular weight of Sulforaphane is 177.02821 g/mol.
What are the applications of Sulforaphane?
Sulforaphane is used in pharmaceutical synthesis routes and API production, as well as food, feed, and nutraceutical applications. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Sulforaphane (CAS 4478-93-7) with custom synthesis available from...
Where can I buy Sulforaphane?
You can request a quote for Sulforaphane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Sulforaphane?
Yes, CoreyChem provides custom synthesis services for Sulforaphane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.