NCIStruc1_001939
TL;DR: NCIStruc1_001939 (CAS 5358-76-9) is a chemical compound with molecular formula C20H19N3O and molecular weight 317.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxido-3-(piperidin-1-ylmethyl)-4-aza-2-azoniatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
Also Known As: NCIStruc1_001939, NCIStruc2_001542, NCI60_001625, 2-(1-piperidinylmethyl)-15-indeno[1,2,3-de]quinazolin-1-ol, 2-(Piperidin-1-ylmethyl)indeno[1,2,3-de]quinazoline 1-oxide
| Molecular Formula | C20H19N3O |
|---|---|
| Molecular Weight | 317.15 g/mol |
| LogP | 3.5015 |
| Topological Polar Surface Area | 43.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.1528 |
| Heavy Atoms | 24 |
| Complexity | 945.01196 |
Chemical Identifiers
| CAS Number | 5358-76-9 |
|---|---|
| SMILES | C1CCN(CC1)CC2=NC3=CC=CC4=C3C(=[N+]2[O-])C5=CC=CC=C45 |
Product Overview
NCIStruc1_001939 (CAS 5358-76-9), with molecular formula C20H19N3O and molecular weight 317.15 g/mol. IUPAC: 2-oxido-3-(piperidin-1-ylmethyl)-4-aza-2-azoniatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene.
Chemical Property Profile of NCIStruc1_001939
Property Insights of NCIStruc1_001939
The XLogP value of 3.5015 indicates that NCIStruc1_001939 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.07 Ų, NCIStruc1_001939 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCIStruc1_001939 has 0 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 NCIStruc1_001939?
The CAS number of NCIStruc1_001939 is 5358-76-9.
What is the molecular formula of NCIStruc1_001939?
The molecular formula of NCIStruc1_001939 is C20H19N3O.
What is the molecular weight of NCIStruc1_001939?
The molecular weight of NCIStruc1_001939 is 317.15 g/mol.
Where can I buy NCIStruc1_001939?
You can request a quote for NCIStruc1_001939 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIStruc1_001939?
Yes, KEHONG BIO provides custom synthesis services for NCIStruc1_001939 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.