![CAS 1038916-11-8 tert-butyl (3S)-3-{4-[7-(aminocarbonyl)-2H-indazol-2-yl]phenyl}piperidine-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1038916-11-8.gif)
CAS RN: 1038916-11-8
tert-butyl (3S)-3-{4-[7-(aminocarbonyl)-2H-indazol-2-yl]phenyl}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.20250213 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1038916-11-8
- Purity/Analytical Methods: >99.0%
1038916-11-8 / tert-butyl (3S)-3-[4-(7-carbamoylindazol-2-yl)phenyl]piperidine-1-carboxylate
tert-butyl 3-(4-(7-carbamoyl-2H-indazol-2-yl)phenyl)piperidine-1-carboxylate | tert-butyl 3-{4-[7-(aminocarbonyl)-2H-indazol-2-yl]phenyl}-piperidine-1-carboxylate | WUM9KV7U56
Basic Information
CAS
1038916-11-8
Multi CAS
Yes
Molecular Formula
C24H28N4O3
Molecular Weight
420.500000
Exact Mass
420.216141
SMILES
CC(C)(C)OC(=O)N1CCC[C@H](C1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N
InChI
InChI=1S/C24H28N4O3/c1-24(2,3)31-23(30)27-13-5-7-17(14-27)16-9-11-19(12-10-16)28-15-18-6-4-8-20(22(25)29)21(18)26-28/h4,6,8-12,15,17H,5,7,13-14H2,1-3H3,(H2,25,29)/t17-/m1/s1
InChIKey
CKLLYICRBHJGHU-QGZVFWFLSA-N
Synonyms
tert-butyl 3-(4-(7-carbamoyl-2H-indazol-2-yl)phenyl)piperidine-1-carboxylate
tert-butyl 3-{4-[7-(aminocarbonyl)-2H-indazol-2-yl]phenyl}-piperidine-1-carboxylate
WUM9KV7U56
SCHEMBL23854758
DB-352889
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
15
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
119.37
TPSA
90.45
LogP / Solubility
WLOGP
4.24
MLOGP
3.76
XLogP3
3.5
Consensus LogP
3.83
Log S (ESOL)
-5.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.27
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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