Thia-Net
TL;DR: Thia-Net (CAS 127942-31-8) is a chemical compound with molecular formula C15H21N7O3S2 and molecular weight 411.11472 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-aminobutanoylamino)-N-[4-(3-aminopropylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
Also Known As: Thia-net, Disermolide, Thia-netropsin, Netropsin (Thia-Nt), NCI60_013407
Technical Specifications
| Molecular Formula | C15H21N7O3S2 |
| Molecular Weight | 411.11472 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 222.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 411.11472 Da |
| Heavy Atoms | 27 |
| Complexity | 526.0 |
| SMILES | C1=C(N=C(S1)NC(=O)CCCN)C(=O)NC2=NC(=CS2)C(=O)NCCCN |
| InChIKey | NOPYGMHKXXIDPJ-UHFFFAOYSA-N |
Chemical Property Profile of Thia-Net
Property Insights of Thia-Net
The XLogP value of -0.6 indicates that Thia-Net is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 222.0 Ų indicates high polarity, suggesting Thia-Net may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thia-Net 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
What is the CAS number of Thia-Net?
The CAS number of Thia-Net is 127942-31-8.
What is the molecular formula of Thia-Net?
The molecular formula of Thia-Net is C15H21N7O3S2.
What is the molecular weight of Thia-Net?
The molecular weight of Thia-Net is 411.11472 g/mol.
Where can I buy Thia-Net?
You can request a quote for Thia-Net directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Thia-Net?
Yes, CoreyChem provides custom synthesis services for Thia-Net and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.