NCI60_025313
TL;DR: NCI60_025313 (CAS 909075-98-5) is a chemical compound with molecular formula C15H15N3O2S2 and molecular weight 333.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethyl-4-(4-methylphenyl)-2-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione
Also Known As: NCI60_025313, 6-Ethyl-4-(4-methylphenyl)-2-(methylthio)[1,3]thiazolo[5,4-d]pyrimidine-5,7(4H,6H)-dione, 6-ethyl-4-(4-methylphenyl)-2-(methylthio)[1,3]thia, 6-ethyl-2-methylsulfanyl-4-(p-tolyl)thiazolo[5,4-d]pyrimidine-5,7-dione, 6-ethyl-4-(4-methylphenyl)-2-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione
| Molecular Formula | C15H15N3O2S2 |
|---|---|
| Molecular Weight | 333.06 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.06058 |
| Heavy Atoms | 22 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 909075-98-5 |
|---|---|
| SMILES | CCN1C(=O)C2=C(N(C1=O)C3=CC=C(C=C3)C)SC(=N2)SC |
| InChIKey | RDYYVTMSUQIPFK-UHFFFAOYSA-N |
Product Overview
NCI60_025313 (CAS 909075-98-5), with molecular formula C15H15N3O2S2 and molecular weight 333.06 g/mol. IUPAC: 6-ethyl-4-(4-methylphenyl)-2-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione.
Chemical Property Profile of NCI60_025313
Property Insights of NCI60_025313
The XLogP value of 3.6 indicates that NCI60_025313 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_025313. Following Lipinski's Rule of Five, NCI60_025313 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_025313?
The CAS number of NCI60_025313 is 909075-98-5.
What is the molecular formula of NCI60_025313?
The molecular formula of NCI60_025313 is C15H15N3O2S2.
What is the molecular weight of NCI60_025313?
The molecular weight of NCI60_025313 is 333.06 g/mol.
Where can I buy NCI60_025313?
You can request a quote for NCI60_025313 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_025313?
Yes, KEHONG BIO provides custom synthesis services for NCI60_025313 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.