CAS RN: 1160248-23-6
Tert-Butyl 3-(2-Oxoindolin-3-Yl)Piperidine-1-Carboxylate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260111 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1160248-23-6
- Purity/Analytical Methods: >99.0%
1160248-23-6 / tert-butyl 3-(2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carboxylate
tert-Butyl 3-(2-oxoindolin-3-yl)piperidine-1-carboxylate | MFCD12198796 | TERT-BUTYL 3-(2-OXO-1,3-DIHYDROINDOL-3-YL)PIPERIDINE-1-CARBOXYLATE
Basic Information
CAS
1160248-23-6
Multi CAS
No
Molecular Formula
C18H24N2O3
Molecular Weight
316.400000
Exact Mass
316.178693
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)C2C3=CC=CC=C3NC2=O
InChI
InChI=1S/C18H24N2O3/c1-18(2,3)23-17(22)20-10-6-7-12(11-20)15-13-8-4-5-9-14(13)19-16(15)21/h4-5,8-9,12,15H,6-7,10-11H2,1-3H3,(H,19,21)
InChIKey
HXCXILHDJLTTKB-UHFFFAOYSA-N
Synonyms
tert-Butyl 3-(2-oxoindolin-3-yl)piperidine-1-carboxylate
MFCD12198796
TERT-BUTYL 3-(2-OXO-1,3-DIHYDROINDOL-3-YL)PIPERIDINE-1-CARBOXYLATE
tert-butyl 3-(2-oxo-2,3-dihydro-1H-indol-3-yl)piperidine-1-carboxylate
tert-Butyl3-(2-oxoindolin-3-yl)piperidine-1-carboxylate
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
88.34
TPSA
58.64
LogP / Solubility
WLOGP
3.37
MLOGP
2.98
XLogP3
2.4
Consensus LogP
2.92
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.63
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
No
Log Kp (skin permeation)
-2.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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