![CAS 153139-56-1 3-[(Dimethylamino)methyl]-9-methyl-1,2,3,9-tetrahydro-4H-carbazol-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/153139-56-1.gif)
CAS RN: 153139-56-1
3-[(Dimethylamino)methyl]-9-methyl-1,2,3,9-tetrahydro-4H-carbazol-4-one
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251003 | 25mg / 50mg / 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS153139-56-1
- Purity/Analytical Methods: >99.0%
153139-56-1 / 3-[(dimethylamino)methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one
Basic Information
CAS
153139-56-1
Multi CAS
No
Molecular Formula
C16H20N2O
Molecular Weight
256.340000
Exact Mass
256.157563
SMILES
CN1C2=C(C3=CC=CC=C31)C(=O)C(CC2)CN(C)C
InChI
InChI=1S/C16H20N2O/c1-17(2)10-11-8-9-14-15(16(11)19)12-6-4-5-7-13(12)18(14)3/h4-7,11H,8-10H2,1-3H3
InChIKey
BSGMMRNLRWFVHL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
77.61
TPSA
25.24
LogP / Solubility
WLOGP
2.49
MLOGP
2.19
XLogP3
2.2
Consensus LogP
2.29
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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![CAS 153162-70-0 N-[6-[[5-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1 -oxopentyl]amino]hexyl]-carbamic Acid 1,1-Dimethylethyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/153162-70-0.gif)
![CAS 153172-30-6 4H-1,3-Dioxolo[4,5-c]pyrrole, 4-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]tetrahydro-2,2-dimethyl-5-(phenylmethyl)-, (3aR,4R,6aS)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/153172-30-6.gif)
