CAS RN: 1420071-13-1
LAS191859
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.20250329 | 500μg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1420071-13-1
- Purity/Analytical Methods: >99.0%
1420071-13-1 / 2-[1-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
Basic Information
CAS
1420071-13-1
Multi CAS
No
Molecular Formula
C24H24F3N3O3
Molecular Weight
459.500000
Exact Mass
459.176976
SMILES
CCN(CC1=C(C=CC(=C1)C(F)(F)F)N2C=C(C3=C2N=C(C=C3)C)CC(=O)O)C(=O)C4CC4
InChI
InChI=1S/C24H24F3N3O3/c1-3-29(23(33)15-5-6-15)12-17-10-18(24(25,26)27)7-9-20(17)30-13-16(11-21(31)32)19-8-4-14(2)28-22(19)30/h4,7-10,13,15H,3,5-6,11-12H2,1-2H3,(H,31,32)
InChIKey
KGBYKYDRYYERIX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
15
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
115.96
TPSA
75.43
LogP / Solubility
WLOGP
4.74
MLOGP
4.2
XLogP3
3.8
Consensus LogP
4.25
Log S (ESOL)
-5.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.42
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)
-2.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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