NCI60_029189
TL;DR: NCI60_029189 (CAS 104715-84-6) is a chemical compound with molecular formula C18H23N5O2S and molecular weight 373.15726 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-butylanilino)-9-(2-hydroxyethoxymethyl)-3H-purine-6-thione
Also Known As: NCI60_029189, 2-(p-n-Butylanilino)-6-thioxo-9-((2-hydroxyethoxy)methyl)purine, 1,9-Dihydro-2-((4-butylphenyl)amino)-9-((2-hydroxyethoxy)methyl)-6H-purine-6-thione, 6H-Purine-6-thione, 1,9-dihydro-2-((4-butylphenyl)amino)-9-((2-hydroxyethoxy)methyl)-, 2-[[2-(4-butylanilino)-6-sulfanyl-purin-9-yl]methoxy]ethanol
Technical Specifications
| Molecular Formula | C18H23N5O2S |
| Molecular Weight | 373.15726 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 373.15726 Da |
| Heavy Atoms | 26 |
| Complexity | 496.0 |
| SMILES | CCCCC1=CC=C(C=C1)NC2=NC(=S)C3=C(N2)N(C=N3)COCCO |
| InChIKey | KEJWNJZGGLXQHF-UHFFFAOYSA-N |
Chemical Property Profile of NCI60_029189
Property Insights of NCI60_029189
The XLogP value of 3.0 indicates that NCI60_029189 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_029189. Following Lipinski's Rule of Five, NCI60_029189 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 NCI60_029189?
The CAS number of NCI60_029189 is 104715-84-6.
What is the molecular formula of NCI60_029189?
The molecular formula of NCI60_029189 is C18H23N5O2S.
What is the molecular weight of NCI60_029189?
The molecular weight of NCI60_029189 is 373.15726 g/mol.
Where can I buy NCI60_029189?
You can request a quote for NCI60_029189 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for NCI60_029189?
Yes, CoreyChem provides custom synthesis services for NCI60_029189 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.