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CAS 28360-49-8 MAHANINE molecular structure lightbox
CAS RN: 28360-49-8

MAHANINE

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Batchno.20250724 1mg Out of stock Inquiry
  • Product code: starshine_CAS28360-49-8
  • Purity/Analytical Methods: >99.0%
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28360-49-8 / 3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazol-9-ol

Standard CAS: 28360-49-8 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
28360-49-8
Multi CAS
No
Molecular Formula
C23H25NO2
Molecular Weight
347.400000
Exact Mass
347.188529
SMILES
CC1=CC2=C(C3=C1OC(C=C3)(C)CCC=C(C)C)NC4=C2C=CC(=C4)O
InChI
InChI=1S/C23H25NO2/c1-14(2)6-5-10-23(4)11-9-18-21-19(12-15(3)22(18)26-23)17-8-7-16(25)13-20(17)24-21/h6-9,11-13,24-25H,5,10H2,1-4H3/t23-/m1/s1
InChIKey
DWMBXHWBPZZCTN-HSZRJFAPSA-N

Physical Properties

Melting Point
98 - 100 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
13
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
108.94
TPSA
45.25

LogP / Solubility

WLOGP
6.25
MLOGP
5.51
XLogP3
6.3
Consensus LogP
6.02
Log S (ESOL)
-6.1
Class (ESOL)
Insoluble
Log S (Ali)
-6.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.46
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
No
Log Kp (skin permeation)
-0.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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