NCI60_020253
TL;DR: NCI60_020253 (CAS 906437-59-0) is a chemical compound with molecular formula C20H18N4O3S and molecular weight 394.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-amino-4-(3-methoxyphenyl)-3-methyl-4H-pyrazolo[5,4-d][1,3]thiazin-1-yl]-(2-hydroxyphenyl)methanone
Also Known As: NCI60_020253, 2-((6-Imino-4-(3-methoxyphenyl)-3-methyl-6,7-dihydropyrazolo[3,4-d][1,3]thiazin-1(4H)-yl)carbonyl)phenol, 4-H-Pyrazolo[3,3]thiazin-6-amine, 1-(2-hydroxybenzoyl)-4-(3-methoxyphenyl)-3-methyl-, (2-hydroxyphenyl)-[6-imino-4-(3-methoxyphenyl)-3-methyl-4,7-dihydropyrazolo[3,4-d][1,3]thiazin-1-yl]methanone, [6-amino-4-(3-methoxyphenyl)-3-methyl-4H-pyrazolo[3,4-d][1,3]thiazin-1-yl]-(2-hydroxyphenyl)methanone
| Molecular Formula | C20H18N4O3S |
|---|---|
| Molecular Weight | 394.11 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.10995 |
| Heavy Atoms | 28 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 906437-59-0 |
|---|---|
| SMILES | CC1=NN(C2=C1C(SC(=N2)N)C3=CC(=CC=C3)OC)C(=O)C4=CC=CC=C4O |
| InChIKey | BDYGXBHZVFIJOH-UHFFFAOYSA-N |
Product Overview
NCI60_020253 (CAS 906437-59-0), with molecular formula C20H18N4O3S and molecular weight 394.11 g/mol. IUPAC: [6-amino-4-(3-methoxyphenyl)-3-methyl-4H-pyrazolo[5,4-d][1,3]thiazin-1-yl]-(2-hydroxyphenyl)methanone.
Chemical Property Profile of NCI60_020253
Property Insights of NCI60_020253
The XLogP value of 3.7 indicates that NCI60_020253 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_020253. Following Lipinski's Rule of Five, NCI60_020253 has 2 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_020253?
The CAS number of NCI60_020253 is 906437-59-0.
What is the molecular formula of NCI60_020253?
The molecular formula of NCI60_020253 is C20H18N4O3S.
What is the molecular weight of NCI60_020253?
The molecular weight of NCI60_020253 is 394.11 g/mol.
Where can I buy NCI60_020253?
You can request a quote for NCI60_020253 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_020253?
Yes, KEHONG BIO provides custom synthesis services for NCI60_020253 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.