CAS RN: 1205687-48-4
1,3-Dihydroxy-2,4-diprenylacridone
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250118 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS1205687-48-4
- Purity/Analytical Methods: >99.0%
1205687-48-4 / 1,3-dihydroxy-2,4-bis(3-methylbut-2-enyl)-10H-acridin-9-one
1,3-Dihydroxy-2,4-diprenylacridone | orb1680571 | AKOS040763225
Basic Information
CAS
1205687-48-4
Multi CAS
Yes
Molecular Formula
C23H25NO3
Molecular Weight
363.400000
Exact Mass
363.183444
SMILES
CC(=CCC1=C2C(=C(C(=C1O)CC=C(C)C)O)C(=O)C3=CC=CC=C3N2)C
InChI
InChI=1S/C23H25NO3/c1-13(2)9-11-16-20-19(22(26)15-7-5-6-8-18(15)24-20)23(27)17(21(16)25)12-10-14(3)4/h5-10,25,27H,11-12H2,1-4H3,(H,24,26)
InChIKey
YJXSGTZSGZPDFU-UHFFFAOYSA-N
Synonyms
1,3-Dihydroxy-2,4-diprenylacridone
orb1680571
AKOS040763225
F94031
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
14
Fraction Csp3
0.26
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
111.67
TPSA
73.32
LogP / Solubility
WLOGP
5.11
MLOGP
4.52
XLogP3
6.7
Consensus LogP
5.44
Log S (ESOL)
-5.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.74
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-1.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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