Pth-S-Carboxymethylcysteine
TL;DR: Pth-S-Carboxymethylcysteine (CAS 29635-91-4) is a chemical compound with molecular formula C12H12N2O3S2 and molecular weight 296.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(4R)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]methylsulfanyl]acetic acid
Also Known As: Pth-S-Carboxymethylcysteine, 2-[[(4R)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]methylsulfanyl]acetic acid, 2-[(5-oxo-1-phenyl-2-sulfanylidene-imidazolidin-4-yl)methylsulfanyl]acetic Acid
| Molecular Formula | C12H12N2O3S2 |
|---|---|
| Molecular Weight | 296.03 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.02893 |
| Heavy Atoms | 19 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 29635-91-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)[C@@H](NC2=S)CSCC(=O)O |
| InChIKey | BZNVDUCTHUKQRI-VIFPVBQESA-N |
Product Overview
Pth-S-Carboxymethylcysteine (CAS 29635-91-4), with molecular formula C12H12N2O3S2 and molecular weight 296.03 g/mol. IUPAC: 2-[[(4R)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]methylsulfanyl]acetic acid.
Chemical Property Profile of Pth-S-Carboxymethylcysteine
Property Insights of Pth-S-Carboxymethylcysteine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pth-S-Carboxymethylcysteine. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pth-S-Carboxymethylcysteine. Following Lipinski's Rule of Five, Pth-S-Carboxymethylcysteine has 2 hydrogen bond donor(s) and 5 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 Pth-S-Carboxymethylcysteine?
The CAS number of Pth-S-Carboxymethylcysteine is 29635-91-4.
What is the molecular formula of Pth-S-Carboxymethylcysteine?
The molecular formula of Pth-S-Carboxymethylcysteine is C12H12N2O3S2.
What is the molecular weight of Pth-S-Carboxymethylcysteine?
The molecular weight of Pth-S-Carboxymethylcysteine is 296.03 g/mol.
Where can I buy Pth-S-Carboxymethylcysteine?
You can request a quote for Pth-S-Carboxymethylcysteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pth-S-Carboxymethylcysteine?
Yes, KEHONG BIO provides custom synthesis services for Pth-S-Carboxymethylcysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.