NCI60_036479
TL;DR: NCI60_036479 (CAS 298206-49-2) is a chemical compound with molecular formula C23H24N4O2S and molecular weight 420.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-(2-hydroxyethyl)-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: NCI60_036479, F0856-0293, (Z)-4-((3-(2-hydroxyethyl)-4-(p-tolyl)thiazol-2(3H)-ylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one, 4-[[3-(2-hydroxyethyl)-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one, 4-{[(2Z)-3-(2-hydroxyethyl)-4-(4-methylphenyl)-2,3-dihydro-1,3-thiazol-2-ylidene]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
| Molecular Formula | C23H24N4O2S |
|---|---|
| Molecular Weight | 420.16 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.162 |
| Heavy Atoms | 30 |
| Complexity | 748.0 |
Chemical Identifiers
| CAS Number | 298206-49-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CSC(=NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)N2CCO |
| InChIKey | OSRAYUCUVISSRO-UHFFFAOYSA-N |
Product Overview
NCI60_036479 (CAS 298206-49-2), with molecular formula C23H24N4O2S and molecular weight 420.16 g/mol. IUPAC: 4-[[3-(2-hydroxyethyl)-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of NCI60_036479
Property Insights of NCI60_036479
The XLogP value of 3.9 indicates that NCI60_036479 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_036479. Following Lipinski's Rule of Five, NCI60_036479 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_036479?
The CAS number of NCI60_036479 is 298206-49-2.
What is the molecular formula of NCI60_036479?
The molecular formula of NCI60_036479 is C23H24N4O2S.
What is the molecular weight of NCI60_036479?
The molecular weight of NCI60_036479 is 420.16 g/mol.
Where can I buy NCI60_036479?
You can request a quote for NCI60_036479 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_036479?
Yes, KEHONG BIO provides custom synthesis services for NCI60_036479 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.