CAS RN: 1922099-21-5
CCG-232601
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.20260522 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1922099-21-5
- Purity/Analytical Methods: >99.0%
1922099-21-5 / N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyridin-4-ylbenzoyl)piperidine-3-carboxamide
Basic Information
CAS
1922099-21-5
Multi CAS
No
Molecular Formula
C24H20ClF2N3O2
Molecular Weight
455.900000
Exact Mass
455.121211
SMILES
C1C(CN(CC1(F)F)C(=O)C2=CC=CC(=C2)C3=CC=NC=C3)C(=O)NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H20ClF2N3O2/c25-20-4-6-21(7-5-20)29-22(31)19-13-24(26,27)15-30(14-19)23(32)18-3-1-2-17(12-18)16-8-10-28-11-9-16/h1-12,19H,13-15H2,(H,29,31)
InChIKey
MKJLDLGLVZUENS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.21
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
118.71
TPSA
62.3
LogP / Solubility
WLOGP
5.14
MLOGP
4.55
XLogP3
4.2
Consensus LogP
4.63
Log S (ESOL)
-6.06
Class (ESOL)
Insoluble
Log S (Ali)
-7.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.37
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)
-1.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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