NCI60_029356
TL;DR: NCI60_029356 (CAS 251983-44-5) is a chemical compound with molecular formula C23H20N4 and molecular weight 352.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(4-methylanilino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile
Also Known As: NCI60_029356, J1.179.422J, 11-(p-tolylamino)-7,8,9,10-tetrahydrobenzo[4,5]imidazo[1,2-b]isoquinoline-6-carbonitrile, 11-(4-methylanilino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile, 9-[(4-methylphenyl)amino]-10,17-diazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(17),2,8,11(16),12,14-hexaene-2-carbonitrile
| Molecular Formula | C23H20N4 |
|---|---|
| Molecular Weight | 352.17 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.1688 |
| Heavy Atoms | 27 |
| Complexity | 574.0 |
Chemical Identifiers
| CAS Number | 251983-44-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=C3CCCCC3=C(C4=NC5=CC=CC=C5N24)C#N |
| InChIKey | JHERFNLEIUWPFX-UHFFFAOYSA-N |
Product Overview
NCI60_029356 (CAS 251983-44-5), with molecular formula C23H20N4 and molecular weight 352.17 g/mol. IUPAC: 11-(4-methylanilino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile.
Chemical Property Profile of NCI60_029356
Property Insights of NCI60_029356
The XLogP value of 6.5 indicates that NCI60_029356 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.1 Ų, NCI60_029356 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_029356 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_029356?
The CAS number of NCI60_029356 is 251983-44-5.
What is the molecular formula of NCI60_029356?
The molecular formula of NCI60_029356 is C23H20N4.
What is the molecular weight of NCI60_029356?
The molecular weight of NCI60_029356 is 352.17 g/mol.
Where can I buy NCI60_029356?
You can request a quote for NCI60_029356 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_029356?
Yes, KEHONG BIO provides custom synthesis services for NCI60_029356 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.