S-(2-(1-Carboxy-2-methylpropyl)isoindole-1-yl)-N-acetylcysteine
TL;DR: S-(2-(1-Carboxy-2-methylpropyl)isoindole-1-yl)-N-acetylcysteine (CAS 126478-70-4) is a chemical compound with molecular formula C18H22N2O5S and molecular weight 378.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[1-[(2R)-2-acetamido-2-carboxyethyl]sulfanylisoindol-2-yl]-3-methylbutanoic acid
Also Known As: Cmpi-accys, KST-1A1528, S-(2-(1-Carboxy-2-methylpropyl)isoindole-1-yl)-N-acetylcysteine, (2r)-2-(1-{[(2r)-2-(acetylamino)-2-carboxyethyl]sulfanyl}-2h-isoindol-2-yl)-3-methylbutanoic acid, 2H-Isoindole-2-aceticacid, 1-[[2-(acetylamino)-2-carboxyethyl]thio]-a-(1-methylethyl)-, [R-(R*,R*)]- (9CI)
| Molecular Formula | C18H22N2O5S |
|---|---|
| Molecular Weight | 378.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 378.12494 |
| Heavy Atoms | 26 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 126478-70-4 |
|---|---|
| SMILES | CC(C)[C@H](C(=O)O)N1C=C2C=CC=CC2=C1SC[C@@H](C(=O)O)NC(=O)C |
| InChIKey | DLQUETFHQQTKAC-LSDHHAIUSA-N |
Product Overview
S-(2-(1-Carboxy-2-methylpropyl)isoindole-1-yl)-N-acetylcysteine (CAS 126478-70-4), with molecular formula C18H22N2O5S and molecular weight 378.12 g/mol. IUPAC: (2R)-2-[1-[(2R)-2-acetamido-2-carboxyethyl]sulfanylisoindol-2-yl]-3-methylbutanoic acid.
Chemical Property Profile of S-(2-(1-Carboxy-2-methylpropyl)isoindole-1-yl)-N-acetylcysteine
Property Insights of S-(2-(1-Carboxy-2-methylpropyl)isoindole-1-yl)-N-acetylcysteine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(2-(1-Carboxy-2-methylpropyl)isoindole-1-yl)-N-acetylcysteine. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(2-(1-Carboxy-2-methylpropyl)isoindole-1-yl)-N-acetylcysteine. Following Lipinski's Rule of Five, S-(2-(1-Carboxy-2-methylpropyl)isoindole-1-yl)-N-acetylcysteine has 3 hydrogen bond donor(s) and 6 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-(1-Carboxy-2-methylpropyl)isoindole-1-yl)-N-acetylcysteine?
The CAS number of S-(2-(1-Carboxy-2-methylpropyl)isoindole-1-yl)-N-acetylcysteine is 126478-70-4.
What is the molecular formula of S-(2-(1-Carboxy-2-methylpropyl)isoindole-1-yl)-N-acetylcysteine?
The molecular formula of S-(2-(1-Carboxy-2-methylpropyl)isoindole-1-yl)-N-acetylcysteine is C18H22N2O5S.
What is the molecular weight of S-(2-(1-Carboxy-2-methylpropyl)isoindole-1-yl)-N-acetylcysteine?
The molecular weight of S-(2-(1-Carboxy-2-methylpropyl)isoindole-1-yl)-N-acetylcysteine is 378.12 g/mol.
Where can I buy S-(2-(1-Carboxy-2-methylpropyl)isoindole-1-yl)-N-acetylcysteine?
You can request a quote for S-(2-(1-Carboxy-2-methylpropyl)isoindole-1-yl)-N-acetylcysteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-(1-Carboxy-2-methylpropyl)isoindole-1-yl)-N-acetylcysteine?
Yes, KEHONG BIO provides custom synthesis services for S-(2-(1-Carboxy-2-methylpropyl)isoindole-1-yl)-N-acetylcysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.