S-Mandelylglutathione
TL;DR: S-Mandelylglutathione (CAS 5451-74-1) is a chemical compound with molecular formula C18H23N3O8S and molecular weight 441.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-hydroxy-2-phenylacetyl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Also Known As: S-Mandelylglutathione, S-mandeloylglutathione, cis,cis-1,3,5-Trihydroxycyclohexane, N-[N-(L-gamma-Glutamyl)-S-mandeloyl-L-cysteinyl]glycine, Glycine, N-(N-L-gamma-glutamyl-S-(hydroxyphenylacetyl)-L-cysteinyl)-
| Molecular Formula | C18H23N3O8S |
|---|---|
| Molecular Weight | 441.12 g/mol |
| LogP | -3.3 |
| Topological Polar Surface Area | 221.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 441.12057 |
| Heavy Atoms | 30 |
| Complexity | 639.0 |
Chemical Identifiers
| CAS Number | 5451-74-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O |
| InChIKey | YUKXYNWSJMQEBV-GYZKLXCISA-N |
Product Overview
S-Mandelylglutathione (CAS 5451-74-1), with molecular formula C18H23N3O8S and molecular weight 441.12 g/mol. IUPAC: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-hydroxy-2-phenylacetyl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid.
Chemical Property Profile of S-Mandelylglutathione
Property Insights of S-Mandelylglutathione
The XLogP value of -3.3 indicates that S-Mandelylglutathione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 221.0 Ų indicates high polarity, suggesting S-Mandelylglutathione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S-Mandelylglutathione has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-Mandelylglutathione?
The CAS number of S-Mandelylglutathione is 5451-74-1.
What is the molecular formula of S-Mandelylglutathione?
The molecular formula of S-Mandelylglutathione is C18H23N3O8S.
What is the molecular weight of S-Mandelylglutathione?
The molecular weight of S-Mandelylglutathione is 441.12 g/mol.
Where can I buy S-Mandelylglutathione?
You can request a quote for S-Mandelylglutathione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Mandelylglutathione?
Yes, KEHONG BIO provides custom synthesis services for S-Mandelylglutathione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.