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CAS 107672-54-8 7-Hydroxy-1-methoxy-3-methylcarbazole molecular structure lightbox
CAS RN: 107672-54-8

7-Hydroxy-1-methoxy-3-methylcarbazole

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251111 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS107672-54-8
  • Purity/Analytical Methods: >99.0%
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107672-54-8 / 8-methoxy-6-methyl-9H-carbazol-2-ol

7-Hydroxy-1-methoxy-3-methylcarbazole | orb1680489 | AKOS040763302

Standard CAS: 107672-54-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
107672-54-8
Multi CAS
No
Molecular Formula
C14H13NO2
Molecular Weight
227.260000
Exact Mass
227.094629
SMILES
CC1=CC2=C(C(=C1)OC)NC3=C2C=CC(=C3)O
InChI
InChI=1S/C14H13NO2/c1-8-5-11-10-4-3-9(16)7-12(10)15-14(11)13(6-8)17-2/h3-7,15-16H,1-2H3
InChIKey
LUZSMZYGSICZOH-UHFFFAOYSA-N
Synonyms
7-Hydroxy-1-methoxy-3-methylcarbazole orb1680489 AKOS040763302 F92811

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
13
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
68.76
TPSA
45.25

LogP / Solubility

WLOGP
3.34
MLOGP
2.95
XLogP3
3.4
Consensus LogP
3.23
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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