![CAS 1704740-52-2 (2S)-N-[4-[[3-Cyano-1-(2-methylpropyl)-1H-indol-5-yl]oxy]phenyl]-2-pyrrolidinecarboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1704740-52-2.gif)
CAS RN: 1704740-52-2
(2S)-N-[4-[[3-Cyano-1-(2-methylpropyl)-1H-indol-5-yl]oxy]phenyl]-2-pyrrolidinecarboxamide
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.20250306 | 5mg / 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1704740-52-2
- Purity/Analytical Methods: >99.0%
1704740-52-2 / (2S)-N-[4-[3-cyano-1-(2-methylpropyl)indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide
Basic Information
CAS
1704740-52-2
Multi CAS
No
Molecular Formula
C24H26N4O2
Molecular Weight
402.500000
Exact Mass
402.205576
SMILES
CC(C)CN1C=C(C2=C1C=CC(=C2)OC3=CC=C(C=C3)NC(=O)[C@@H]4CCCN4)C#N
InChI
InChI=1S/C24H26N4O2/c1-16(2)14-28-15-17(13-25)21-12-20(9-10-23(21)28)30-19-7-5-18(6-8-19)27-24(29)22-4-3-11-26-22/h5-10,12,15-16,22,26H,3-4,11,14H2,1-2H3,(H,27,29)/t22-/m0/s1
InChIKey
OOGHGWKBJXQNEJ-QFIPXVFZSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
15
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
117.66
TPSA
79.08
LogP / Solubility
WLOGP
4.65
MLOGP
4.12
XLogP3
3.8
Consensus LogP
4.19
Log S (ESOL)
-5.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.86
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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![CAS 1704741-11-6 (2S)-N-[4-[[3-Cyano-1-[(3,5-dimethyl-4-isoxazolyl)methyl]-1H-indol-5-yl]oxy]phenyl]-2-pyrrolidinecarboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1704741-11-6.gif)
