CAS RN: 735322-70-0
2-(2-CHLOROPHENYL)-2-(1H-INDOL-3-YL)ETHANAMINE
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.20250325 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS735322-70-0
- Purity/Analytical Methods: >99.0%
735322-70-0 / 2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethanamine
Basic Information
CAS
735322-70-0
Multi CAS
No
Molecular Formula
C16H15CLN2
Molecular Weight
270.750000
Exact Mass
270.092376
InChI
InChI=1S/C16H15ClN2/c17-15-7-3-1-5-11(15)13(9-18)14-10-19-16-8-4-2-6-12(14)16/h1-8,10,13,19H,9,18H2
InChIKey
DWOFRWCQQMUIRA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
2
Molar refractivity
80.65
TPSA
41.81
LogP / Solubility
WLOGP
3.91
MLOGP
3.45
XLogP3
3.4
Consensus LogP
3.59
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.03
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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