![CAS 1009630-24-3 4-(4-CHLORO-PHENYL)-3-METHYL-1-PHENYL-1H-INDENO[1,2-B]PYRAZOLO[4,3-E]PYRIDIN-5-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1009630-24-3.gif)
CAS RN: 1009630-24-3
4-(4-CHLORO-PHENYL)-3-METHYL-1-PHENYL-1H-INDENO[1,2-B]PYRAZOLO[4,3-E]PYRIDIN-5-ONE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251108 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1009630-24-3
- Purity/Analytical Methods: >99.0%
1009630-24-3 / 10-(4-chlorophenyl)-12-methyl-14-phenyl-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,12,15-heptaen-8-one
4-(4-Chlorophenyl)-3-methyl-1-phenyl-1H-indeno[1,2-b]pyrazolo[4,3-e]pyridin-5-one | 4-(4-Chlorophenyl)-3-methyl-1-phenyl-1H-indeno[1,2 -b]pyrazolo[4,3-e]pyridin-5-one | 4-(4-Chlorophenyl)-3-methyl-1-phenylindeno[1,2-b]pyrazolo[4,3-e]pyridin-5(1H)-one
Basic Information
CAS
1009630-24-3
Multi CAS
No
Molecular Formula
C26H16ClN3O
Molecular Weight
421.900000
Exact Mass
421.098190
SMILES
CC1=NN(C2=NC3=C(C(=C12)C4=CC=C(C=C4)Cl)C(=O)C5=CC=CC=C53)C6=CC=CC=C6
InChI
InChI=1S/C26H16ClN3O/c1-15-21-22(16-11-13-17(27)14-12-16)23-24(19-9-5-6-10-20(19)25(23)31)28-26(21)30(29-15)18-7-3-2-4-8-18/h2-14H,1H3
InChIKey
JMHITUQKRXDPQS-UHFFFAOYSA-N
Synonyms
4-(4-Chlorophenyl)-3-methyl-1-phenyl-1H-indeno[1,2-b]pyrazolo[4,3-e]pyridin-5-one
4-(4-Chlorophenyl)-3-methyl-1-phenyl-1H-indeno[1,2 -b]pyrazolo[4,3-e]pyridin-5-one
4-(4-Chlorophenyl)-3-methyl-1-phenylindeno[1,2-b]pyrazolo[4,3-e]pyridin-5(1H)-one
MFCD11501274
4-(4-Chloro-phenyl)-3-methyl-1-phenyl-1H-indeno[1,2-b]pyrazolo[4,3-e]pyridin-5-one
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
27
Fraction Csp3
0.04
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
122.92
TPSA
47.78
LogP / Solubility
WLOGP
6.26
MLOGP
5.54
XLogP3
6.3
Consensus LogP
6.03
Log S (ESOL)
-6.91
Class (ESOL)
Insoluble
Log S (Ali)
-7.54
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.84
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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