CAS RN: 61788-27-0
1H-Indole-3-carboxaMide, N-(2-chlorophenyl)-
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.20260529 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS61788-27-0
- Purity/Analytical Methods: >99.0%
61788-27-0 / N-(2-chlorophenyl)-1H-indole-3-carboxamide
Basic Information
CAS
61788-27-0
Multi CAS
No
Molecular Formula
C15H11CLN2O
Molecular Weight
270.710000
Exact Mass
270.055991
InChI
InChI=1S/C15H11ClN2O/c16-12-6-2-4-8-14(12)18-15(19)11-9-17-13-7-3-1-5-10(11)13/h1-9,17H,(H,18,19)
InChIKey
OYUBLAUHKNUTEB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
77.7
TPSA
44.89
LogP / Solubility
WLOGP
4.07
MLOGP
3.59
XLogP3
3.9
Consensus LogP
3.85
Log S (ESOL)
-4.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.04
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)
-1.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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