S-((2-chloroethyl)carbamoyl)glutathione
TL;DR: S-((2-chloroethyl)carbamoyl)glutathione (CAS 4668-00-2) is a chemical compound with molecular formula C13H21ClN4O7S and molecular weight 412.08 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-chloroethylcarbamoylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Also Known As: S-( glutathione, SCCG, [1-13C]cyclohexanol, S-((2-Chloroethyl)carbamoyl)glutathione, 2-Chloroethyl-S-carbamoylglutathione
| Molecular Formula | C13H21ClN4O7S |
|---|---|
| Molecular Weight | 412.08 g/mol |
| LogP | -3.9 |
| Topological Polar Surface Area | 213.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 412.08194 |
| Heavy Atoms | 26 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 4668-00-2 |
|---|---|
| SMILES | C(CC(=O)N[C@@H](CSC(=O)NCCCl)C(=O)NCC(=O)O)[C@@H](C(=O)O)N |
| InChIKey | BXPMYWSZMJXCHC-YUMQZZPRSA-N |
Product Overview
S-((2-chloroethyl)carbamoyl)glutathione (CAS 4668-00-2), with molecular formula C13H21ClN4O7S and molecular weight 412.08 g/mol. IUPAC: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-chloroethylcarbamoylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid.
Chemical Property Profile of S-((2-chloroethyl)carbamoyl)glutathione
Property Insights of S-((2-chloroethyl)carbamoyl)glutathione
The XLogP value of -3.9 indicates that S-((2-chloroethyl)carbamoyl)glutathione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 213.0 Ų indicates high polarity, suggesting S-((2-chloroethyl)carbamoyl)glutathione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S-((2-chloroethyl)carbamoyl)glutathione has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-((2-chloroethyl)carbamoyl)glutathione?
The CAS number of S-((2-chloroethyl)carbamoyl)glutathione is 4668-00-2.
What is the molecular formula of S-((2-chloroethyl)carbamoyl)glutathione?
The molecular formula of S-((2-chloroethyl)carbamoyl)glutathione is C13H21ClN4O7S.
What is the molecular weight of S-((2-chloroethyl)carbamoyl)glutathione?
The molecular weight of S-((2-chloroethyl)carbamoyl)glutathione is 412.08 g/mol.
Where can I buy S-((2-chloroethyl)carbamoyl)glutathione?
You can request a quote for S-((2-chloroethyl)carbamoyl)glutathione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-((2-chloroethyl)carbamoyl)glutathione?
Yes, KEHONG BIO provides custom synthesis services for S-((2-chloroethyl)carbamoyl)glutathione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.