Desferriferrithiocin
TL;DR: Desferriferrithiocin (CAS 76045-30-2) is a chemical compound with molecular formula C10H10N2O3S and molecular weight 238.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4S)-2-(3-hydroxy-2-pyridinyl)-4,5-dihydro-1,3-thiazole-4-carboxylate
Also Known As: Desferriferrithiocin, DESFERRI-FERRITHIOCIN, methyl (4S)-2-(3-hydroxypyridin-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate, methyl (2E,4S)-2-(3-oxopyridin-2-ylidene)-1,3-thiazolidine-4-carboxylate, 4-Thiazolecarboxylic acid, 4,5-dihydro-2-(3-hydroxy-2-pyridinyl)-4-methyl-, (S)-
| Molecular Formula | C10H10N2O3S |
|---|---|
| Molecular Weight | 238.04 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 97.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.04121 |
| Heavy Atoms | 16 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 76045-30-2 |
|---|---|
| SMILES | COC(=O)[C@H]1CSC(=N1)C2=C(C=CC=N2)O |
| InChIKey | MXNMKXDOWGYTSV-ZCFIWIBFSA-N |
Product Overview
Desferriferrithiocin (CAS 76045-30-2), with molecular formula C10H10N2O3S and molecular weight 238.04 g/mol. IUPAC: methyl (4S)-2-(3-hydroxy-2-pyridinyl)-4,5-dihydro-1,3-thiazole-4-carboxylate.
Chemical Property Profile of Desferriferrithiocin
Property Insights of Desferriferrithiocin
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Desferriferrithiocin. The TPSA of 97.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Desferriferrithiocin. Following Lipinski's Rule of Five, Desferriferrithiocin has 1 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 Desferriferrithiocin?
The CAS number of Desferriferrithiocin is 76045-30-2.
What is the molecular formula of Desferriferrithiocin?
The molecular formula of Desferriferrithiocin is C10H10N2O3S.
What is the molecular weight of Desferriferrithiocin?
The molecular weight of Desferriferrithiocin is 238.04 g/mol.
Where can I buy Desferriferrithiocin?
You can request a quote for Desferriferrithiocin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desferriferrithiocin?
Yes, KEHONG BIO provides custom synthesis services for Desferriferrithiocin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.