NCI60_029357
TL;DR: NCI60_029357 (CAS 251983-45-6) is a chemical compound with molecular formula C22H17ClN4 and molecular weight 372.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(4-chloroanilino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile
Also Known As: NCI60_029357, J1.179.423H, 11-[(4-Chlorophenyl)amino]-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile, 11-(4-chloroanilino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile, 11-(4-chloroanilino)-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile
| Molecular Formula | C22H17ClN4 |
|---|---|
| Molecular Weight | 372.11 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 372.11417 |
| Heavy Atoms | 27 |
| Complexity | 580.0 |
Chemical Identifiers
| CAS Number | 251983-45-6 |
|---|---|
| SMILES | C1CCC2=C(N3C4=CC=CC=C4N=C3C(=C2C1)C#N)NC5=CC=C(C=C5)Cl |
| InChIKey | KVGHMXCQKBILTM-UHFFFAOYSA-N |
Product Overview
NCI60_029357 (CAS 251983-45-6), with molecular formula C22H17ClN4 and molecular weight 372.11 g/mol. IUPAC: 11-(4-chloroanilino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile.
Chemical Property Profile of NCI60_029357
Property Insights of NCI60_029357
The XLogP value of 6.8 indicates that NCI60_029357 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_029357 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_029357 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_029357?
The CAS number of NCI60_029357 is 251983-45-6.
What is the molecular formula of NCI60_029357?
The molecular formula of NCI60_029357 is C22H17ClN4.
What is the molecular weight of NCI60_029357?
The molecular weight of NCI60_029357 is 372.11 g/mol.
Where can I buy NCI60_029357?
You can request a quote for NCI60_029357 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_029357?
Yes, KEHONG BIO provides custom synthesis services for NCI60_029357 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.