NCI60_000631
TL;DR: NCI60_000631 (CAS 28519-19-9) is a chemical compound with molecular formula C20H23N3O2 and molecular weight 337.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-methyl-1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperidine-2,6-dione
Also Known As: NCI60_000631, 4-((5-Methyl-1-phenyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methyl)-2,6-piperidinedione, 4-[(5-methyl-1-phenyl-4,5,6,7-tetrahydro-1h-indazol-3-yl)methyl]piperidine-2,6-dione, 4-[(5-methyl-1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)methyl], 4-[(5-methyl-1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperidine-2,6-dione
| Molecular Formula | C20H23N3O2 |
|---|---|
| Molecular Weight | 337.18 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 64.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.17902 |
| Heavy Atoms | 25 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 28519-19-9 |
|---|---|
| SMILES | CC1CCC2=C(C1)C(=NN2C3=CC=CC=C3)CC4CC(=O)NC(=O)C4 |
| InChIKey | PMXKFZZRRJFOJT-UHFFFAOYSA-N |
Product Overview
NCI60_000631 (CAS 28519-19-9), with molecular formula C20H23N3O2 and molecular weight 337.18 g/mol. IUPAC: 4-[(5-methyl-1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperidine-2,6-dione.
Chemical Property Profile of NCI60_000631
Property Insights of NCI60_000631
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_000631. The TPSA of 64.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_000631. Following Lipinski's Rule of Five, NCI60_000631 has 1 hydrogen bond donor(s) and 3 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_000631?
The CAS number of NCI60_000631 is 28519-19-9.
What is the molecular formula of NCI60_000631?
The molecular formula of NCI60_000631 is C20H23N3O2.
What is the molecular weight of NCI60_000631?
The molecular weight of NCI60_000631 is 337.18 g/mol.
Where can I buy NCI60_000631?
You can request a quote for NCI60_000631 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_000631?
Yes, KEHONG BIO provides custom synthesis services for NCI60_000631 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.