3-(allylsulphinyl)-L-alanine
TL;DR: 3-(allylsulphinyl)-L-alanine (CAS 556-27-4) 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-prop-2-enylsulfinylpropanoic acid
Also Known As: Alliin, L-Alliin, 3-(Allylsulphinyl)-L-alanine, (+)-L-Alliin, ACSO
| Molecular Formula | C6H11NO3S |
|---|---|
| Molecular Weight | 177.05 g/mol |
| LogP | -3.5 |
| Topological Polar Surface Area | 99.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 177.04596 |
| Heavy Atoms | 11 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 556-27-4 |
|---|---|
| SMILES | C=CCS(=O)C[C@@H](C(=O)O)N |
| InChIKey | XUHLIQGRKRUKPH-ITZCMCNPSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(allylsulphinyl)-L-alanine (CAS 556-27-4), with molecular formula C6H11NO3S and molecular weight 177.05 g/mol. IUPAC: (2R)-2-amino-3-prop-2-enylsulfinylpropanoic acid.
Chemical Property Profile of 3-(allylsulphinyl)-L-alanine
Property Insights of 3-(allylsulphinyl)-L-alanine
The XLogP value of -3.5 indicates that 3-(allylsulphinyl)-L-alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(allylsulphinyl)-L-alanine. Following Lipinski's Rule of Five, 3-(allylsulphinyl)-L-alanine has 2 hydrogen bond donor(s) and 5 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 3-(allylsulphinyl)-L-alanine?
The CAS number of 3-(allylsulphinyl)-L-alanine is 556-27-4.
What is the molecular formula of 3-(allylsulphinyl)-L-alanine?
The molecular formula of 3-(allylsulphinyl)-L-alanine is C6H11NO3S.
What is the molecular weight of 3-(allylsulphinyl)-L-alanine?
The molecular weight of 3-(allylsulphinyl)-L-alanine is 177.05 g/mol.
Where can I buy 3-(allylsulphinyl)-L-alanine?
You can request a quote for 3-(allylsulphinyl)-L-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(allylsulphinyl)-L-alanine?
Yes, KEHONG BIO provides custom synthesis services for 3-(allylsulphinyl)-L-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.