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CAS 1156506-80-7 2,6-DiMethyl-4-(Methoxycarbonyl)phenyl Acridine-9-carboxylate molecular structure lightbox
CAS RN: 1156506-80-7

2,6-DiMethyl-4-(Methoxycarbonyl)phenyl Acridine-9-carboxylate

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Batchno.20250414 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS1156506-80-7
  • Purity/Analytical Methods: >99.0%
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1156506-80-7 / (4-methoxycarbonyl-2,6-dimethylphenyl) acridine-9-carboxylate

2,6-Dimethyl-4-(methoxycarbonyl)phenyl Acridine-9-carboxylate | 4-(Methoxycarbonyl)-2,6-dimethylphenyl acridine-9-carboxylate | (4-methoxycarbonyl-2,6-dimethyl-phenyl) acridine-9-carboxylate

Standard CAS: 1156506-80-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1156506-80-7
Multi CAS
No
Molecular Formula
C24H19NO4
Molecular Weight
385.400000
Exact Mass
385.131408
SMILES
CC1=CC(=CC(=C1OC(=O)C2=C3C=CC=CC3=NC4=CC=CC=C42)C)C(=O)OC
InChI
InChI=1S/C24H19NO4/c1-14-12-16(23(26)28-3)13-15(2)22(14)29-24(27)21-17-8-4-6-10-19(17)25-20-11-7-5-9-18(20)21/h4-13H,1-3H3
InChIKey
DOUHCXDGBDELMK-UHFFFAOYSA-N
Synonyms
2,6-Dimethyl-4-(methoxycarbonyl)phenyl Acridine-9-carboxylate 4-(Methoxycarbonyl)-2,6-dimethylphenyl acridine-9-carboxylate (4-methoxycarbonyl-2,6-dimethyl-phenyl) acridine-9-carboxylate (4-methoxycarbonyl-2,6-dimethylphenyl) acridine-9-carboxylate (4-Methoxycarbonyl-2,6-dimethyl-phenyl)acridine-9-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
20
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
111.46
TPSA
65.49

LogP / Solubility

WLOGP
5.01
MLOGP
4.43
XLogP3
5.5
Consensus LogP
4.98
Log S (ESOL)
-5.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.68
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)
-1.51

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
3

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