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CAS 144525-81-5 Murrayanol molecular structure lightbox
CAS RN: 144525-81-5

Murrayanol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260614 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS144525-81-5
  • Purity/Analytical Methods: >99.0%
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144525-81-5 / 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-methoxy-6-methyl-9H-carbazol-2-ol

Standard CAS: 144525-81-5 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
144525-81-5
Multi CAS
No
Molecular Formula
C24H29NO2
Molecular Weight
363.500000
Exact Mass
363.219829
SMILES
CC1=CC2=C(C=C1OC)NC3=C2C=CC(=C3C/C=C(\C)/CCC=C(C)C)O
InChI
InChI=1S/C24H29NO2/c1-15(2)7-6-8-16(3)9-10-19-22(26)12-11-18-20-13-17(4)23(27-5)14-21(20)25-24(18)19/h7,9,11-14,25-26H,6,8,10H2,1-5H3/b16-9+
InChIKey
RTEIBQDXHHQYRJ-CXUHLZMHSA-N

Physical Properties

Melting Point
161 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
13
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
114.88
TPSA
45.25

LogP / Solubility

WLOGP
6.58
MLOGP
5.81
XLogP3
7.2
Consensus LogP
6.53
Log S (ESOL)
-6.2
Class (ESOL)
Insoluble
Log S (Ali)
-7.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.2
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
Yes
Log Kp (skin permeation)
-0.27

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
2.5

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