NCI60_020252
TL;DR: NCI60_020252 (CAS 908809-77-8) is a chemical compound with molecular formula C19H16N4O3S and molecular weight 380.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-amino-4-(4-hydroxyphenyl)-3-methyl-4H-pyrazolo[5,4-d][1,3]thiazin-1-yl]-(2-hydroxyphenyl)methanone
Also Known As: NCI60_020252, (6-Amino-4-(4-hydroxyphenyl)-3-methylpyrazolo[3,4-d][1,3]thiazin-1(4H)-yl)(2-hydroxyphenyl)methanone, 2-((4-(4-Hydroxyphenyl)-6-imino-3-methyl-6,7-dihydropyrazolo[3,4-d][1,3]thiazin-1(4H)-yl)carbonyl)phenol, 4H-Pyrazolo[3,3]thiazin-6-amine, 1-(2-hydroxybenzoyl)-4-(4-hydroxyphenyl)- 3-methyl-, (2-hydroxyphenyl)-[4-(4-hydroxyphenyl)-6-imino-3-methyl-4,7-dihydropyrazolo[3,4-d][1,3]thiazin-1-yl]methanone
| Molecular Formula | C19H16N4O3S |
|---|---|
| Molecular Weight | 380.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 380.0943 |
| Heavy Atoms | 27 |
| Complexity | 596.0 |
Chemical Identifiers
| CAS Number | 908809-77-8 |
|---|---|
| SMILES | CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)O)C(=O)C4=CC=CC=C4O |
| InChIKey | BBTFCDQMNLYHNV-UHFFFAOYSA-N |
Product Overview
NCI60_020252 (CAS 908809-77-8), with molecular formula C19H16N4O3S and molecular weight 380.09 g/mol. IUPAC: [6-amino-4-(4-hydroxyphenyl)-3-methyl-4H-pyrazolo[5,4-d][1,3]thiazin-1-yl]-(2-hydroxyphenyl)methanone.
Chemical Property Profile of NCI60_020252
Property Insights of NCI60_020252
The XLogP value of 3.4 indicates that NCI60_020252 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_020252. Following Lipinski's Rule of Five, NCI60_020252 has 3 hydrogen bond donor(s) and 6 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_020252?
The CAS number of NCI60_020252 is 908809-77-8.
What is the molecular formula of NCI60_020252?
The molecular formula of NCI60_020252 is C19H16N4O3S.
What is the molecular weight of NCI60_020252?
The molecular weight of NCI60_020252 is 380.09 g/mol.
Where can I buy NCI60_020252?
You can request a quote for NCI60_020252 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_020252?
Yes, KEHONG BIO provides custom synthesis services for NCI60_020252 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.