ChemDiv3_004955
TL;DR: ChemDiv3_004955 (CAS 489422-72-2) is a chemical compound with molecular formula C21H20ClN5 and molecular weight 377.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-chloro-6-(3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-yl]-3,4-dihydro-2H-quinoline
Also Known As: ChemDiv3_004955, 1,1'-(6-chloro-1,3,5-triazine-2,4-diyl)bis-1,2,3,4-tetrahydroquinoline, IDI1_022865, 1-[4-chloro-6-(3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-yl]-3,4-dihydro-2H-quinoline, 1,1'-(6-Chloro-1,3,5-triazine-2,4-diyl)-bis-1,2,3,4-tetrahydroquinoline
| Molecular Formula | C21H20ClN5 |
|---|---|
| Molecular Weight | 377.14 g/mol |
| LogP | 4.6936 |
| Topological Polar Surface Area | 45.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 377.14072 |
| Heavy Atoms | 27 |
| Complexity | 914.0609 |
Chemical Identifiers
| CAS Number | 489422-72-2 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C1)C3=NC(=NC(=N3)Cl)N4CCCC5=CC=CC=C54 |
Product Overview
ChemDiv3_004955 (CAS 489422-72-2), with molecular formula C21H20ClN5 and molecular weight 377.14 g/mol. IUPAC: 1-[4-chloro-6-(3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-yl]-3,4-dihydro-2H-quinoline.
Chemical Property Profile of ChemDiv3_004955
Property Insights of ChemDiv3_004955
The XLogP value of 4.6936 indicates that ChemDiv3_004955 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.15 Ų, ChemDiv3_004955 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_004955 has 0 hydrogen bond donor(s) and 5 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 ChemDiv3_004955?
The CAS number of ChemDiv3_004955 is 489422-72-2.
What is the molecular formula of ChemDiv3_004955?
The molecular formula of ChemDiv3_004955 is C21H20ClN5.
What is the molecular weight of ChemDiv3_004955?
The molecular weight of ChemDiv3_004955 is 377.14 g/mol.
Where can I buy ChemDiv3_004955?
You can request a quote for ChemDiv3_004955 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004955?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004955 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.