蘿蔔硫素
TL;DR: 蘿蔔硫素 (CAS 4478-93-7) is a chemical compound with molecular formula C6H11NOS2 and molecular weight 177.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
蘿蔔硫素
1-isothiocyanato-4-methylsulfinylbutane
Also Known As: sulforaphane, DL-Sulforaphane, Sulforafan, L-Sulforaphane, D,L-Sulforaphane
| Molecular Formula | C6H11NOS2 |
|---|---|
| Molecular Weight | 177.03 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 177.02821 |
| Heavy Atoms | 10 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 4478-93-7 |
|---|---|
| SMILES | CS(=O)CCCCN=C=S |
| InChIKey | SUVMJBTUFCVSAD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
蘿蔔硫素 (CAS 4478-93-7), with molecular formula C6H11NOS2 and molecular weight 177.03 g/mol. IUPAC: 1-isothiocyanato-4-methylsulfinylbutane.
Chemical Property Profile of 蘿蔔硫素
Property Insights of 蘿蔔硫素
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 蘿蔔硫素. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 蘿蔔硫素. Following Lipinski's Rule of Five, 蘿蔔硫素 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 蘿蔔硫素?
The CAS number of 蘿蔔硫素 is 4478-93-7.
What is the molecular formula of 蘿蔔硫素?
The molecular formula of 蘿蔔硫素 is C6H11NOS2.
What is the molecular weight of 蘿蔔硫素?
The molecular weight of 蘿蔔硫素 is 177.03 g/mol.
Where can I buy 蘿蔔硫素?
You can request a quote for 蘿蔔硫素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 蘿蔔硫素?
Yes, KEHONG BIO provides custom synthesis services for 蘿蔔硫素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.