NCI60_011100
TL;DR: NCI60_011100 (CAS 105124-99-0) is a chemical compound with molecular formula C22H26N4O and molecular weight 362.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)-1-(1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone
Also Known As: NCI60_011100, 1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-2-((diethylamino)acetyl)-1-(3-pyridinyl)-, 2,3,4,9-Tetrahydro-2-((diethylamino)acetyl)-1-(3-pyridinyl)-1H-pyrido(3,4-b)indole, n,n-diethyl-2-oxo-2-(1-(3-pyridinyl)-1,3,4,9-tetrahydro-2h-, A-carbolin-2-yl)ethanamine
| Molecular Formula | C22H26N4O |
|---|---|
| Molecular Weight | 362.21 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 52.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.21066 |
| Heavy Atoms | 27 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 105124-99-0 |
|---|---|
| SMILES | CCN(CC)CC(=O)N1CCC2=C(C1C3=CN=CC=C3)NC4=CC=CC=C24 |
| InChIKey | CJPWNBNMOISVOL-UHFFFAOYSA-N |
Product Overview
NCI60_011100 (CAS 105124-99-0), with molecular formula C22H26N4O and molecular weight 362.21 g/mol. IUPAC: 2-(diethylamino)-1-(1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone.
Chemical Property Profile of NCI60_011100
Property Insights of NCI60_011100
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_011100. With a topological polar surface area (TPSA) of 52.2 Ų, NCI60_011100 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_011100 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_011100?
The CAS number of NCI60_011100 is 105124-99-0.
What is the molecular formula of NCI60_011100?
The molecular formula of NCI60_011100 is C22H26N4O.
What is the molecular weight of NCI60_011100?
The molecular weight of NCI60_011100 is 362.21 g/mol.
Where can I buy NCI60_011100?
You can request a quote for NCI60_011100 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_011100?
Yes, KEHONG BIO provides custom synthesis services for NCI60_011100 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.