S-2-Histidylcysteine
TL;DR: S-2-Histidylcysteine (CAS 77504-36-0) is a chemical compound with molecular formula C9H14N4O4S and molecular weight 274.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-3-[2-[(2R)-2-amino-2-carboxyethyl]sulfanyl-1H-imidazol-5-yl]propanoic acid
Also Known As: S-2-Histidylcysteine, S(beta)-2-Histidylcysteine, 2-S-cysteinylhistidine, 2-[(2-Amino-2-carboxyethyl)sulfanyl]histidine, L-Histidine, 2-((2-amino-2-carboxyethyl)thio)-, (R)-
| Molecular Formula | C9H14N4O4S |
|---|---|
| Molecular Weight | 274.07 g/mol |
| LogP | -6.0 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 274.07358 |
| Heavy Atoms | 18 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 77504-36-0 |
|---|---|
| SMILES | C1=C(NC(=N1)SC[C@@H](C(=O)O)N)C[C@@H](C(=O)O)N |
| InChIKey | FCRXZCXRHDQWHP-WDSKDSINSA-N |
Product Overview
S-2-Histidylcysteine (CAS 77504-36-0), with molecular formula C9H14N4O4S and molecular weight 274.07 g/mol. IUPAC: (2S)-2-amino-3-[2-[(2R)-2-amino-2-carboxyethyl]sulfanyl-1H-imidazol-5-yl]propanoic acid.
Chemical Property Profile of S-2-Histidylcysteine
Property Insights of S-2-Histidylcysteine
The XLogP value of -6.0 indicates that S-2-Histidylcysteine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 181.0 Ų indicates high polarity, suggesting S-2-Histidylcysteine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S-2-Histidylcysteine has 5 hydrogen bond donor(s) and 8 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 S-2-Histidylcysteine?
The CAS number of S-2-Histidylcysteine is 77504-36-0.
What is the molecular formula of S-2-Histidylcysteine?
The molecular formula of S-2-Histidylcysteine is C9H14N4O4S.
What is the molecular weight of S-2-Histidylcysteine?
The molecular weight of S-2-Histidylcysteine is 274.07 g/mol.
Where can I buy S-2-Histidylcysteine?
You can request a quote for S-2-Histidylcysteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-2-Histidylcysteine?
Yes, KEHONG BIO provides custom synthesis services for S-2-Histidylcysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.