![CAS 1521159-33-0 Benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, 2,7-bis(3,5-dimethyl-1H-pyrazol-4-yl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1521159-33-0.gif)
CAS RN: 1521159-33-0
Benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, 2,7-bis(3,5-dimethyl-1H-pyrazol-4-yl)-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260609 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS1521159-33-0
- Purity/Analytical Methods: >99.0%
1521159-33-0 / 6,13-bis(3,5-dimethyl-1H-pyrazol-4-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
Basic Information
CAS
1521159-33-0
Multi CAS
No
Molecular Formula
C24H18N6O4
Molecular Weight
454.400000
Exact Mass
454.138953
SMILES
CC1=C(C(=NN1)C)N2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)C6=C(NN=C6C)C)C2=O
InChI
InChI=1S/C24H18N6O4/c1-9-19(10(2)26-25-9)29-21(31)13-5-7-15-18-16(8-6-14(17(13)18)22(29)32)24(34)30(23(15)33)20-11(3)27-28-12(20)4/h5-8H,1-4H3,(H,25,26)(H,27,28)
InChIKey
AVYWFMXENCMUMO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
20
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
122.35
TPSA
132.12
LogP / Solubility
WLOGP
3.12
MLOGP
2.78
XLogP3
2.4
Consensus LogP
2.77
Log S (ESOL)
-4.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.44
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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