CAS RN: 1199236-64-0
N-((1-(2-(tert-ButylaMino)-2-oxoethyl)piperidin-4-yl)Methyl)-3-chloro-5-fluorobenzaMide
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250511 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1199236-64-0
- Purity/Analytical Methods: >99.0%
1199236-64-0 / N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-chloro-5-fluorobenzamide
Z944 | Z944 compound | RefChem:934477
Basic Information
CAS
1199236-64-0
Multi CAS
No
Molecular Formula
C19H27ClFN3O2
Molecular Weight
383.900000
Exact Mass
383.177583
SMILES
CC(C)(C)NC(=O)CN1CCC(CC1)CNC(=O)C2=CC(=CC(=C2)Cl)F
InChI
InChI=1S/C19H27ClFN3O2/c1-19(2,3)23-17(25)12-24-6-4-13(5-7-24)11-22-18(26)14-8-15(20)10-16(21)9-14/h8-10,13H,4-7,11-12H2,1-3H3,(H,22,26)(H,23,25)
InChIKey
JOCLITFYIMJMNK-UHFFFAOYSA-N
Synonyms
Z944
Z944 compound
RefChem:934477
Ulixacaltamide
N-((1-(2-(tert-Butylamino)-2-oxoethyl)piperidin-4-yl)methyl)-3-chloro-5-fluorobenzamide
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
100.8
TPSA
61.44
LogP / Solubility
WLOGP
2.84
MLOGP
2.52
XLogP3
3
Consensus LogP
2.79
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.11
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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