CAS RN: 2092923-21-0
VU 6008667
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.20260508 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2092923-21-0
- Purity/Analytical Methods: >99.0%
2092923-21-0 / (9bS)-9b-(4-chloro-3-methylphenyl)-1-(3,4-difluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
Basic Information
CAS
2092923-21-0
Multi CAS
No
Molecular Formula
C24H17ClF2N2O2
Molecular Weight
438.900000
Exact Mass
438.094662
SMILES
CC1=C(C=CC(=C1)[C@@]23C4=CC=CC=C4C(=O)N2CCN3C(=O)C5=CC(=C(C=C5)F)F)Cl
InChI
InChI=1S/C24H17ClF2N2O2/c1-14-12-16(7-8-19(14)25)24-18-5-3-2-4-17(18)23(31)29(24)11-10-28(24)22(30)15-6-9-20(26)21(27)13-15/h2-9,12-13H,10-11H2,1H3/t24-/m0/s1
InChIKey
XMSLRELXMCKGCB-DEOSSOPVSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
111.84
TPSA
40.62
LogP / Solubility
WLOGP
4.74
MLOGP
4.2
XLogP3
4.7
Consensus LogP
4.55
Log S (ESOL)
-5.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.58
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.69
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)
-2.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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