NCI60_017741
TL;DR: NCI60_017741 (CAS 130719-46-9) is a chemical compound with molecular formula C24H24N4O3S and molecular weight 448.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-oxopropan-2-yl]sulfanyl-3-ethylquinazolin-4-one
Also Known As: NCI60_017741, 2-{[1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-oxopropan-2-yl]sulfanyl}-3-ethylquinazolin-4(3H)-one, 3-Ethyl-2-[[1-[(1-phenyl-2,3-dimethyl-5-oxo-3-pyrazolin-4-yl)carbonyl]ethyl]thio]quinazolin-4(3H)-one, 2-[[2-(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-methyl-2-oxoethyl]thio]-3-ethyl-4(3H)-quinazolinone, 2-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-oxopropan-2-yl]sulfanyl-3-ethylquinazolin-4-one
| Molecular Formula | C24H24N4O3S |
|---|---|
| Molecular Weight | 448.16 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 98.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.15692 |
| Heavy Atoms | 32 |
| Complexity | 848.0 |
Chemical Identifiers
| CAS Number | 130719-46-9 |
|---|---|
| SMILES | CCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C |
| InChIKey | XBPAWLOIOIZXJC-UHFFFAOYSA-N |
Product Overview
NCI60_017741 (CAS 130719-46-9), with molecular formula C24H24N4O3S and molecular weight 448.16 g/mol. IUPAC: 2-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-oxopropan-2-yl]sulfanyl-3-ethylquinazolin-4-one.
Chemical Property Profile of NCI60_017741
Property Insights of NCI60_017741
The XLogP value of 4.3 indicates that NCI60_017741 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.6 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_017741. Following Lipinski's Rule of Five, NCI60_017741 has 0 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_017741?
The CAS number of NCI60_017741 is 130719-46-9.
What is the molecular formula of NCI60_017741?
The molecular formula of NCI60_017741 is C24H24N4O3S.
What is the molecular weight of NCI60_017741?
The molecular weight of NCI60_017741 is 448.16 g/mol.
Where can I buy NCI60_017741?
You can request a quote for NCI60_017741 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_017741?
Yes, KEHONG BIO provides custom synthesis services for NCI60_017741 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.