NCIStruc1_000367
TL;DR: NCIStruc1_000367 (CAS 5463-36-5) is a chemical compound with molecular formula C31H36N4 and molecular weight 464.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-6-[(4-methyl-2-piperidin-1-ylquinolin-6-yl)methyl]-2-piperidin-1-ylquinoline
Also Known As: NCIStruc1_000367, NCIStruc2_001002, NCI60_000845, 4-methyl-6-((4-methyl-2-(1-piperidinyl)-6-quinolinyl)methyl)-2-(1-piperidinyl)quinoline, 4-methyl-6-[(4-methyl-2-piperidin-1-ylquinolin-6-yl)methyl]-2-piperidin-1-ylquinoline
| Molecular Formula | C31H36N4 |
|---|---|
| Molecular Weight | 464.29 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 464.294 |
| Heavy Atoms | 35 |
| Complexity | 615.0 |
Chemical Identifiers
| CAS Number | 5463-36-5 |
|---|---|
| SMILES | CC1=CC(=NC2=C1C=C(C=C2)CC3=CC4=C(C=C3)N=C(C=C4C)N5CCCCC5)N6CCCCC6 |
| InChIKey | XVAZCKPKEMTQDI-UHFFFAOYSA-N |
Product Overview
NCIStruc1_000367 (CAS 5463-36-5), with molecular formula C31H36N4 and molecular weight 464.29 g/mol. IUPAC: 4-methyl-6-[(4-methyl-2-piperidin-1-ylquinolin-6-yl)methyl]-2-piperidin-1-ylquinoline.
Chemical Property Profile of NCIStruc1_000367
Property Insights of NCIStruc1_000367
The XLogP value of 7.7 indicates that NCIStruc1_000367 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, NCIStruc1_000367 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCIStruc1_000367 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCIStruc1_000367?
The CAS number of NCIStruc1_000367 is 5463-36-5.
What is the molecular formula of NCIStruc1_000367?
The molecular formula of NCIStruc1_000367 is C31H36N4.
What is the molecular weight of NCIStruc1_000367?
The molecular weight of NCIStruc1_000367 is 464.29 g/mol.
Where can I buy NCIStruc1_000367?
You can request a quote for NCIStruc1_000367 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIStruc1_000367?
Yes, KEHONG BIO provides custom synthesis services for NCIStruc1_000367 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.