ChemDiv3_005508
TL;DR: ChemDiv3_005508 (CAS 685135-56-2) is a chemical compound with molecular formula C22H18ClN3O3 and molecular weight 407.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
Also Known As: ChemDiv3_005508, IDI1_023418, BRD-A87082413-001-01-0, 1-(5-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone, F1292-0032
| Molecular Formula | C22H18ClN3O3 |
|---|---|
| Molecular Weight | 407.10 g/mol |
| LogP | 4.62292 |
| Topological Polar Surface Area | 64.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 407.10367 |
| Heavy Atoms | 29 |
| Complexity | 1174.1312 |
Chemical Identifiers
| CAS Number | 685135-56-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN(C(C2)C3=C(N=C4C=C5C(=CC4=C3)OCO5)Cl)C(=O)C |
Product Overview
ChemDiv3_005508 (CAS 685135-56-2), with molecular formula C22H18ClN3O3 and molecular weight 407.10 g/mol. IUPAC: 1-[3-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone.
Chemical Property Profile of ChemDiv3_005508
Property Insights of ChemDiv3_005508
The XLogP value of 4.62292 indicates that ChemDiv3_005508 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.02 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_005508. Following Lipinski's Rule of Five, ChemDiv3_005508 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_005508?
The CAS number of ChemDiv3_005508 is 685135-56-2.
What is the molecular formula of ChemDiv3_005508?
The molecular formula of ChemDiv3_005508 is C22H18ClN3O3.
What is the molecular weight of ChemDiv3_005508?
The molecular weight of ChemDiv3_005508 is 407.10 g/mol.
Where can I buy ChemDiv3_005508?
You can request a quote for ChemDiv3_005508 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005508?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005508 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.