NCIStruc1_000182
TL;DR: NCIStruc1_000182 (CAS 52791-50-1) is a chemical compound with molecular formula C28H30Cl2N6 and molecular weight 520.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-4-[4-[2-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]ethyl]piperidin-1-yl]quinazoline
Also Known As: NCIStruc1_000182, NCIStruc2_001664, NCI60_003047, 1,2-Bis(1-(7-chloroquinazolin-4-yl)piperidin-4-yl)ethane, 4,4'-(1,2-ETHANEDIYLDI-4,1-PIPERIDINEDIYL)BIS(7-CHLOROQUINAZOLINE)
| Molecular Formula | C28H30Cl2N6 |
|---|---|
| Molecular Weight | 520.19 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 58.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 520.1909 |
| Heavy Atoms | 36 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 52791-50-1 |
|---|---|
| SMILES | C1CN(CCC1CCC2CCN(CC2)C3=NC=NC4=C3C=CC(=C4)Cl)C5=NC=NC6=C5C=CC(=C6)Cl |
| InChIKey | CTANXOBLOROWLB-UHFFFAOYSA-N |
Product Overview
NCIStruc1_000182 (CAS 52791-50-1), with molecular formula C28H30Cl2N6 and molecular weight 520.19 g/mol. IUPAC: 7-chloro-4-[4-[2-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]ethyl]piperidin-1-yl]quinazoline.
Chemical Property Profile of NCIStruc1_000182
Property Insights of NCIStruc1_000182
The XLogP value of 7.6 indicates that NCIStruc1_000182 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.0 Ų, NCIStruc1_000182 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCIStruc1_000182 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCIStruc1_000182?
The CAS number of NCIStruc1_000182 is 52791-50-1.
What is the molecular formula of NCIStruc1_000182?
The molecular formula of NCIStruc1_000182 is C28H30Cl2N6.
What is the molecular weight of NCIStruc1_000182?
The molecular weight of NCIStruc1_000182 is 520.19 g/mol.
Where can I buy NCIStruc1_000182?
You can request a quote for NCIStruc1_000182 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIStruc1_000182?
Yes, KEHONG BIO provides custom synthesis services for NCIStruc1_000182 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.