NCI60_008623
TL;DR: NCI60_008623 (CAS 132686-51-2) is a chemical compound with molecular formula C28H22N6OS and molecular weight 490.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenyl-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carbonitrile
Also Known As: NCI60_008623, 9-(2,4-Cyclopentadiene-1-yldiphenylmethyl)-9H-fluorene, 2-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-phenyl-7-(2-thienyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carbonitrile, 2-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-5-phenyl-7-(2-thienyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carbonitrile, 2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenyl-7-thiophen-2-yl-1,7-dihydropyrazolo[1,5-a]pyrimidine-6-carbonitrile
| Molecular Formula | C28H22N6OS |
|---|---|
| Molecular Weight | 490.16 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 490.1576 |
| Heavy Atoms | 36 |
| Complexity | 987.0 |
Chemical Identifiers
| CAS Number | 132686-51-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=NN4C(C(=C(NC4=C3)C5=CC=CC=C5)C#N)C6=CC=CS6 |
| InChIKey | DIFIEMOZOPACFC-UHFFFAOYSA-N |
Product Overview
NCI60_008623 (CAS 132686-51-2), with molecular formula C28H22N6OS and molecular weight 490.16 g/mol. IUPAC: 2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenyl-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carbonitrile.
Chemical Property Profile of NCI60_008623
Property Insights of NCI60_008623
The XLogP value of 4.9 indicates that NCI60_008623 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_008623. Following Lipinski's Rule of Five, NCI60_008623 has 1 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_008623?
The CAS number of NCI60_008623 is 132686-51-2.
What is the molecular formula of NCI60_008623?
The molecular formula of NCI60_008623 is C28H22N6OS.
What is the molecular weight of NCI60_008623?
The molecular weight of NCI60_008623 is 490.16 g/mol.
Where can I buy NCI60_008623?
You can request a quote for NCI60_008623 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_008623?
Yes, KEHONG BIO provides custom synthesis services for NCI60_008623 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.