CAS RN: 2093400-18-9
OTS186935
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.20260412 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2093400-18-9
- Purity/Analytical Methods: >99.0%
2093400-18-9 / (3S)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(pyridin-4-ylmethyl)pyrrolidin-3-amine
Basic Information
CAS
2093400-18-9
Multi CAS
No
Molecular Formula
C25H26ClN5O2
Molecular Weight
464.000000
Exact Mass
463.177503
SMILES
COC1=CC(=C(C=C1C2=CN3C=CC(=CC3=N2)N4CC[C@@H](C4)NCC5=CC=NC=C5)Cl)OC
InChI
InChI=1S/C25H26ClN5O2/c1-32-23-13-24(33-2)21(26)12-20(23)22-16-31-10-6-19(11-25(31)29-22)30-9-5-18(15-30)28-14-17-3-7-27-8-4-17/h3-4,6-8,10-13,16,18,28H,5,9,14-15H2,1-2H3/t18-/m0/s1
InChIKey
YDTCRGKEOJGNHD-SFHVURJKSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
21
Fraction Csp3
0.28
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
1
Molar refractivity
130.44
TPSA
63.92
LogP / Solubility
WLOGP
4.44
MLOGP
3.93
XLogP3
4.3
Consensus LogP
4.22
Log S (ESOL)
-5.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.2
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)
-2.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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![CAS 2093536-13-9 Carbamic acid, N-[6-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]amino]hexyl]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2093536-13-9.png)