AB00685657-01
TL;DR: AB00685657-01 (CAS 442649-71-0) is a chemical compound with molecular formula C25H20ClN3O4 and molecular weight 461.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-chloro-6-methoxyquinolin-3-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
Also Known As: AB00685657-01, [5-(2-chloro-6-methoxyquinolin-3-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl](furan-2-yl)methanone, (5-(2-chloro-6-methoxyquinolin-3-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)(furan-2-yl)methanone, [3-(2-chloro-6-methoxyquinolin-3-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone, 2-CHLORO-3-[1-(FURAN-2-CARBONYL)-3-(4-METHOXYPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-5-YL]-6-METHOXYQUINOLINE
| Molecular Formula | C25H20ClN3O4 |
|---|---|
| Molecular Weight | 461.11 g/mol |
| LogP | 5.4899 |
| Topological Polar Surface Area | 77.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 461.11423 |
| Heavy Atoms | 33 |
| Complexity | 1350.352 |
Chemical Identifiers
| CAS Number | 442649-71-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN(C(C2)C3=C(N=C4C=CC(=CC4=C3)OC)Cl)C(=O)C5=CC=CO5 |
Product Overview
AB00685657-01 (CAS 442649-71-0), with molecular formula C25H20ClN3O4 and molecular weight 461.11 g/mol. IUPAC: [3-(2-chloro-6-methoxyquinolin-3-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone.
Chemical Property Profile of AB00685657-01
Property Insights of AB00685657-01
The XLogP value of 5.4899 indicates that AB00685657-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.16 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685657-01. Following Lipinski's Rule of Five, AB00685657-01 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 AB00685657-01?
The CAS number of AB00685657-01 is 442649-71-0.
What is the molecular formula of AB00685657-01?
The molecular formula of AB00685657-01 is C25H20ClN3O4.
What is the molecular weight of AB00685657-01?
The molecular weight of AB00685657-01 is 461.11 g/mol.
Where can I buy AB00685657-01?
You can request a quote for AB00685657-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685657-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685657-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.