CAS RN: 21144-93-4
2-(3,4-Dihydro-1H-carbazol-9(2H)-yl)acetic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250808 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS21144-93-4
- Purity/Analytical Methods: >99.0%
21144-93-4 / 2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetic acid
Basic Information
CAS
21144-93-4
Multi CAS
No
Molecular Formula
C14H15NO2
Molecular Weight
229.270000
Exact Mass
229.110279
SMILES
C1CCC2=C(C1)C3=CC=CC=C3N2CC(=O)O
InChI
InChI=1S/C14H15NO2/c16-14(17)9-15-12-7-3-1-5-10(12)11-6-2-4-8-13(11)15/h1,3,5,7H,2,4,6,8-9H2,(H,16,17)
InChIKey
NDLUYNBMLNNIRV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
66.22
TPSA
42.23
LogP / Solubility
WLOGP
2.6
MLOGP
2.3
XLogP3
2.9
Consensus LogP
2.6
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 21149-26-8
- Product Code: starshine_CAS21149-26-8
- Purity/Analytical method: >99.0%
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