NCI60_019903
TL;DR: NCI60_019903 (CAS 908804-66-0) is a chemical compound with molecular formula C21H20N4O2S and molecular weight 392.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-amino-4-(3-methoxyphenyl)-3-methyl-4H-pyrazolo[5,4-d][1,3]thiazin-1-yl]-2-phenylethanone
Also Known As: NCI60_019903, 4-(3-Methoxyphenyl)-3-methyl-1-(phenylacetyl)-4,7-dihydropyrazolo[3,4-d][1,3]thiazin-6(1H)-imine, 4H-Pyrazolo[3,3]thiazin-6-amine, 3-methyl-1- (phenylacetyl)-4-(3,4,5-trimethoxyphenyl)-, {4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine,} 3-methyl-1- (phenylacetyl)-4-(3,4,5-trimethoxyphenyl)-, 1-[6-amino-4-(3-methoxyphenyl)-3-methyl-4H-pyrazolo[3,4-d][1,3]thiazin-1-yl]-2-phenylethanone
| Molecular Formula | C21H20N4O2S |
|---|---|
| Molecular Weight | 392.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.1307 |
| Heavy Atoms | 28 |
| Complexity | 595.0 |
Chemical Identifiers
| CAS Number | 908804-66-0 |
|---|---|
| SMILES | CC1=NN(C2=C1C(SC(=N2)N)C3=CC(=CC=C3)OC)C(=O)CC4=CC=CC=C4 |
| InChIKey | KJLLWYMQZCLADK-UHFFFAOYSA-N |
Product Overview
NCI60_019903 (CAS 908804-66-0), with molecular formula C21H20N4O2S and molecular weight 392.13 g/mol. IUPAC: 1-[6-amino-4-(3-methoxyphenyl)-3-methyl-4H-pyrazolo[5,4-d][1,3]thiazin-1-yl]-2-phenylethanone.
Chemical Property Profile of NCI60_019903
Property Insights of NCI60_019903
The XLogP value of 3.5 indicates that NCI60_019903 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_019903. Following Lipinski's Rule of Five, NCI60_019903 has 1 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_019903?
The CAS number of NCI60_019903 is 908804-66-0.
What is the molecular formula of NCI60_019903?
The molecular formula of NCI60_019903 is C21H20N4O2S.
What is the molecular weight of NCI60_019903?
The molecular weight of NCI60_019903 is 392.13 g/mol.
Where can I buy NCI60_019903?
You can request a quote for NCI60_019903 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_019903?
Yes, KEHONG BIO provides custom synthesis services for NCI60_019903 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.