NCI60_011013
TL;DR: NCI60_011013 (CAS 126365-17-1) is a chemical compound with molecular formula C19H15ClN4O5S and molecular weight 446.04517 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5,7-dione
Also Known As: NCI60_011013, 5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 6-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-, 6-(4-Chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5,7(6H)-dione, 6-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5,7-dione, 5H-1,3,4-Thiadiazolo[3,2-a][1,3,5]triazine-5,7(6H)-dione,6-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-
Technical Specifications
| Molecular Formula | C19H15ClN4O5S |
| Molecular Weight | 446.04517 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.04517 Da |
| Heavy Atoms | 30 |
| Complexity | 743.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NN3C(=NC(=O)N(C3=O)C4=CC=C(C=C4)Cl)S2 |
| InChIKey | CDXZJOOBZOBFAO-UHFFFAOYSA-N |
Chemical Property Profile of NCI60_011013
Property Insights of NCI60_011013
The XLogP value of 4.0 indicates that NCI60_011013 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_011013. Following Lipinski's Rule of Five, NCI60_011013 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of NCI60_011013?
The CAS number of NCI60_011013 is 126365-17-1.
What is the molecular formula of NCI60_011013?
The molecular formula of NCI60_011013 is C19H15ClN4O5S.
What is the molecular weight of NCI60_011013?
The molecular weight of NCI60_011013 is 446.04517 g/mol.
Where can I buy NCI60_011013?
You can request a quote for NCI60_011013 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for NCI60_011013?
Yes, CoreyChem provides custom synthesis services for NCI60_011013 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.