CAS RN: 118498-95-6
2,3,4,9-tetrahydro-1H-carbazol-1-amine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250227 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS118498-95-6
- Purity/Analytical Methods: >99.0%
118498-95-6 / 2,3,4,9-tetrahydro-1H-carbazol-1-amine
2,3,4,9-tetrahydro-1H-carbazol-1-amine | RefChem:908551 | MFCD09035289
Basic Information
CAS
118498-95-6
Multi CAS
No
Molecular Formula
C12H14N2
Molecular Weight
186.250000
Exact Mass
186.115698
SMILES
C1CC(C2=C(C1)C3=CC=CC=C3N2)N
InChI
InChI=1S/C12H14N2/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-2,4,7,10,14H,3,5-6,13H2
InChIKey
QRSCMXFSQFZBMB-UHFFFAOYSA-N
Synonyms
2,3,4,9-tetrahydro-1H-carbazol-1-amine
RefChem:908551
MFCD09035289
1,2,3,4,9-pentahydro-4aH-carbazolylamine
aminotetrahydrocarbazole
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
58.17
TPSA
41.81
LogP / Solubility
WLOGP
2.5
MLOGP
2.2
XLogP3
1.7
Consensus LogP
2.13
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
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)
-2.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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