NCI60_011101
TL;DR: NCI60_011101 (CAS 6728-01-4) is a chemical compound with molecular formula C32H30N4O and molecular weight 486.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dibenzylamino)-1-(1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone
Also Known As: NCI60_011101, 2,3,4,9-Tetrahydro-2-((dibenzylamino)acetyl)-1-(3-pyridinyl)-1H-pyrido(3,4-b)indole, 2-(dibenzylamino)-1-(1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone, 1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-2-((bis(phenylmethyl)amino)acetyl)-1-(3-pyridinyl)-, 2-((Dibenzylamino)acetyl)-1-(3-pyridyl)-1,2,3,4-tetrahydro-beta-carboline
| Molecular Formula | C32H30N4O |
|---|---|
| Molecular Weight | 486.24 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 52.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 486.24197 |
| Heavy Atoms | 37 |
| Complexity | 712.0 |
Chemical Identifiers
| CAS Number | 6728-01-4 |
|---|---|
| SMILES | C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CN=CC=C4)C(=O)CN(CC5=CC=CC=C5)CC6=CC=CC=C6 |
| InChIKey | DGCBXFMNTWSXAW-UHFFFAOYSA-N |
Product Overview
NCI60_011101 (CAS 6728-01-4), with molecular formula C32H30N4O and molecular weight 486.24 g/mol. IUPAC: 2-(dibenzylamino)-1-(1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone.
Chemical Property Profile of NCI60_011101
Property Insights of NCI60_011101
The XLogP value of 5.1 indicates that NCI60_011101 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.2 Ų, NCI60_011101 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_011101 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_011101?
The CAS number of NCI60_011101 is 6728-01-4.
What is the molecular formula of NCI60_011101?
The molecular formula of NCI60_011101 is C32H30N4O.
What is the molecular weight of NCI60_011101?
The molecular weight of NCI60_011101 is 486.24 g/mol.
Where can I buy NCI60_011101?
You can request a quote for NCI60_011101 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_011101?
Yes, KEHONG BIO provides custom synthesis services for NCI60_011101 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.