Propachlor-GSH
TL;DR: Propachlor-GSH (CAS 30418-39-4) is a chemical compound with molecular formula C21H30N4O7S and molecular weight 482.18 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)-1-oxo-3-[2-oxo-2-(N-propan-2-ylanilino)ethyl]sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
Also Known As: Propachlor-GSH, 14C-Propachlor-GSH, S-(Anilinocarbonylmethyl)glutathione, (2S)-2-Amino-4-(((1S)-1-(carboxymethylcarbamoyl)-2-((phenyl-propan-2-yl-carbamoyl)methylsulfanyl)ethyl)carbamoyl)butanoic acid, L-gammaGlu-S-[[(Phenyl)(isopropyl)amino]carbonylmethyl]-L-Cys-Gly-OH
| Molecular Formula | C21H30N4O7S |
|---|---|
| Molecular Weight | 482.18 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 204.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 14 |
| Exact Mass | 482.18353 |
| Heavy Atoms | 33 |
| Complexity | 698.0 |
Chemical Identifiers
| CAS Number | 30418-39-4 |
|---|---|
| SMILES | CC(C)N(C1=CC=CC=C1)C(=O)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N |
| InChIKey | DMYUVTOEEWGQMA-HOTGVXAUSA-N |
Product Overview
Propachlor-GSH (CAS 30418-39-4), with molecular formula C21H30N4O7S and molecular weight 482.18 g/mol. IUPAC: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-[2-oxo-2-(N-propan-2-ylanilino)ethyl]sulfanylpropan-2-yl]amino]-5-oxopentanoic acid.
Chemical Property Profile of Propachlor-GSH
Property Insights of Propachlor-GSH
The XLogP value of -2.3 indicates that Propachlor-GSH is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 204.0 Ų indicates high polarity, suggesting Propachlor-GSH may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Propachlor-GSH has 5 hydrogen bond donor(s) and 9 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 Propachlor-GSH?
The CAS number of Propachlor-GSH is 30418-39-4.
What is the molecular formula of Propachlor-GSH?
The molecular formula of Propachlor-GSH is C21H30N4O7S.
What is the molecular weight of Propachlor-GSH?
The molecular weight of Propachlor-GSH is 482.18 g/mol.
Where can I buy Propachlor-GSH?
You can request a quote for Propachlor-GSH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propachlor-GSH?
Yes, KEHONG BIO provides custom synthesis services for Propachlor-GSH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.