CAS RN: 1592-62-7
2,3,4,9-TETRAHYDRO-1H-CARBAZOL-1-OL
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS1592-62-7
- Purity/Analytical Methods: >99.0%
1592-62-7 / 2,3,4,9-tetrahydro-1H-carbazol-1-ol
Basic Information
CAS
1592-62-7
Multi CAS
No
Molecular Formula
C12H13NO
Molecular Weight
187.240000
Exact Mass
187.099714
SMILES
C1CC(C2=C(C1)C3=CC=CC=C3N2)O
InChI
InChI=1S/C12H13NO/c14-11-7-3-5-9-8-4-1-2-6-10(8)13-12(9)11/h1-2,4,6,11,13-14H,3,5,7H2
InChIKey
GXUZLXNKCOCTLH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.33
H-bond acceptors
1
H-bond donors
2
Molar refractivity
56.2
TPSA
36.02
LogP / Solubility
WLOGP
2.54
MLOGP
2.23
XLogP3
2
Consensus LogP
2.26
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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