CAS RN: 16043-40-6
Pigment Red 122
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251123 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS16043-40-6
- Purity/Analytical Methods: >99.0%
16043-40-6 / 3,10-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
Basic Information
CAS
16043-40-6
Multi CAS
No
Molecular Formula
C22H16N2O2
Molecular Weight
340.400000
Exact Mass
340.121178
SMILES
CC1=CC2=C(C=C1)C(=O)C3=CC4=C(C=C3N2)C(=O)C5=C(N4)C=C(C=C5)C
InChI
InChI=1S/C22H16N2O2/c1-11-3-5-13-17(7-11)23-19-9-16-20(10-15(19)21(13)25)24-18-8-12(2)4-6-14(18)22(16)26/h3-10H,1-2H3,(H,23,25)(H,24,26)
InChIKey
SMNAVTCHDQBEEJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
22
Fraction Csp3
0.09
H-bond acceptors
2
H-bond donors
2
Molar refractivity
107.18
TPSA
65.72
LogP / Solubility
WLOGP
4.29
MLOGP
3.79
XLogP3
4.8
Consensus LogP
4.29
Log S (ESOL)
-5.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.44
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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