CAS RN: 224036-13-9
4-(2,3-Dihydro-1H-indol-1-yl)phenylamine
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.20250418 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS224036-13-9
- Purity/Analytical Methods: >99.0%
224036-13-9 / 4-(2,3-dihydroindol-1-yl)aniline
Basic Information
CAS
224036-13-9
Multi CAS
No
Molecular Formula
C14H14N2
Molecular Weight
210.270000
Exact Mass
210.115698
SMILES
C1CN(C2=CC=CC=C21)C3=CC=C(C=C3)N
InChI
InChI=1S/C14H14N2/c15-12-5-7-13(8-6-12)16-10-9-11-3-1-2-4-14(11)16/h1-8H,9-10,15H2
InChIKey
NIAZCPBPDHIJEX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
68.01
TPSA
29.26
LogP / Solubility
WLOGP
2.96
MLOGP
2.61
XLogP3
3
Consensus LogP
2.86
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
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)
-1.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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