Thiorphan
TL;DR: Thiorphan (CAS 76721-89-6) is a chemical compound with molecular formula C12H15NO3S and molecular weight 253.07727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2-benzyl-3-sulfanylpropanoyl)amino]acetic acid
Also Known As: dl-thiorphan, THIORPHAN, Tiorphan, Entinostat, Thiorphan-d7
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H15NO3S |
| Molecular Weight | 253.07727 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 67.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 253.07727 Da |
| Heavy Atoms | 17 |
| Complexity | 264.0 |
| SMILES | C1=CC=C(C=C1)CC(CS)C(=O)NCC(=O)O |
| InChIKey | LJJKNPQAGWVLDQ-UHFFFAOYSA-N |
Chemical Property Profile of Thiorphan
Property Insights of Thiorphan
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiorphan. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiorphan. Following Lipinski's Rule of Five, Thiorphan has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Thiorphan?
The CAS number of Thiorphan is 76721-89-6.
What is the molecular formula of Thiorphan?
The molecular formula of Thiorphan is C12H15NO3S.
What is the molecular weight of Thiorphan?
The molecular weight of Thiorphan is 253.07727 g/mol.
Where can I buy Thiorphan?
You can request a quote for Thiorphan directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Thiorphan?
Yes, CoreyChem provides custom synthesis services for Thiorphan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.