NCI60_034916
TL;DR: NCI60_034916 (CAS 152787-59-2) is a chemical compound with molecular formula C14H16N4O2S2 and molecular weight 336.07147 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 7-cyclopropyl-10-methylsulfanyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxylate
Also Known As: NCI60_034916, Trypsin carboxypeptidase peptide inhibitor, ethyl cyclopropyl(methylsulfanyl)[?]carboxylate, ethyl 5-cyclopropyl-7-(methylsulfanyl)-4,5-dihydro-3h-1-thia-3,5,6,8-tetraazaacenaphthylene-2-carboxylate, Ethyl 5-cyclopropyl-7-(methylthio)-4,5-dihydro-3H-1-thia-3,5,6,8-tetraazaacenaphthylene-2-carboxylate
Technical Specifications
| Molecular Formula | C14H16N4O2S2 |
| Molecular Weight | 336.07147 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.07147 Da |
| Heavy Atoms | 22 |
| Complexity | 451.0 |
| SMILES | CCOC(=O)C1=C2C3=C(N=C(N=C3S1)SC)N(CN2)C4CC4 |
| InChIKey | MXBDNQNBZNKELC-UHFFFAOYSA-N |
Chemical Property Profile of NCI60_034916
Property Insights of NCI60_034916
The XLogP value of 3.8 indicates that NCI60_034916 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_034916. Following Lipinski's Rule of Five, NCI60_034916 has 1 hydrogen bond donor(s) and 8 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_034916?
The CAS number of NCI60_034916 is 152787-59-2.
What is the molecular formula of NCI60_034916?
The molecular formula of NCI60_034916 is C14H16N4O2S2.
What is the molecular weight of NCI60_034916?
The molecular weight of NCI60_034916 is 336.07147 g/mol.
Where can I buy NCI60_034916?
You can request a quote for NCI60_034916 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for NCI60_034916?
Yes, CoreyChem provides custom synthesis services for NCI60_034916 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.