Alliin
TL;DR: Alliin (CAS 17795-26-5) is a chemical compound with molecular formula C6H11NO3S and molecular weight 177.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-amino-3-[(S)-prop-2-enylsulfinyl]propanoic acid
Also Known As: Alliin, (+)-L-Alliin, 3-(Allylsulfinyl)alanine, (+)-Alliin, (S)-3-(Allylsulphinyl)-L-alanine
| Molecular Formula | C6H11NO3S |
|---|---|
| Molecular Weight | 177.05 g/mol |
| LogP | -0.667 |
| Topological Polar Surface Area | 80.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 177.04596 |
| Heavy Atoms | 11 |
| Complexity | 180.66621 |
Chemical Identifiers
| CAS Number | 17795-26-5 |
|---|---|
| SMILES | C=CC[S@](=O)C[C@@H](C(=O)O)N |
Product Overview
Alliin (CAS 17795-26-5), with molecular formula C6H11NO3S and molecular weight 177.05 g/mol. IUPAC: (2R)-2-amino-3-[(S)-prop-2-enylsulfinyl]propanoic acid.
Chemical Property Profile of Alliin
Property Insights of Alliin
The XLogP value of -0.667 indicates that Alliin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.39 Ų falls within the moderate polarity range, balancing permeability and solubility for Alliin. Following Lipinski's Rule of Five, Alliin has 2 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 Alliin?
The CAS number of Alliin is 17795-26-5.
What is the molecular formula of Alliin?
The molecular formula of Alliin is C6H11NO3S.
What is the molecular weight of Alliin?
The molecular weight of Alliin is 177.05 g/mol.
Where can I buy Alliin?
You can request a quote for Alliin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alliin?
Yes, KEHONG BIO provides custom synthesis services for Alliin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.