![CAS 1093956-90-1 tert-Butyl 6-chloro-1,2-dihydrospiro[indole-3,4′-piperidine]-1′-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1093956-90-1.gif)
CAS RN: 1093956-90-1
tert-Butyl 6-chloro-1,2-dihydrospiro[indole-3,4′-piperidine]-1′-carboxylate
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.20250901 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1093956-90-1
- Purity/Analytical Methods: >99.0%
1093956-90-1 / tert-butyl 6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate
tert-Butyl 6-chlorospiro[indoline-3,4'-piperidine]-1'-carboxylate | tert-Butyl 6-chloro-1,2-dihydrospiro[indole-3,4'-piperidine]-1'-carboxylate | MFCD20259868
Basic Information
CAS
1093956-90-1
Multi CAS
No
Molecular Formula
C17H23ClN2O2
Molecular Weight
322.800000
Exact Mass
322.144806
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CNC3=C2C=CC(=C3)Cl
InChI
InChI=1S/C17H23ClN2O2/c1-16(2,3)22-15(21)20-8-6-17(7-9-20)11-19-14-10-12(18)4-5-13(14)17/h4-5,10,19H,6-9,11H2,1-3H3
InChIKey
ZGQIABULNFLRRO-UHFFFAOYSA-N
Synonyms
tert-Butyl 6-chlorospiro[indoline-3,4'-piperidine]-1'-carboxylate
tert-Butyl 6-chloro-1,2-dihydrospiro[indole-3,4'-piperidine]-1'-carboxylate
MFCD20259868
tert-butyl 6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate
SCHEMBL1195130
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
88.66
TPSA
41.57
LogP / Solubility
WLOGP
4.03
MLOGP
3.56
XLogP3
3.7
Consensus LogP
3.76
Log S (ESOL)
-4.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.11
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
Benzonitrile, 2-amino-5-bromo-3-methyl-
- CAS RN: 1093966-37-0
- Product Code: starshine_CAS1093966-37-0
- Purity/Analytical method: >99.0%
-
1-(2-methanesulfonylethyl)-1H-pyrazol-3-amine
- CAS RN: 1093967-38-4
- Product Code: SSC-010692
-
6-fluoro-3-(4-(3-Methoxy-4-(4-Methyl-1H-iMidazol-1-yl)phenyl)-1H-1,2,3-triazol-1-yl)-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one
- CAS RN: 1093978-67-6
- Product Code: starshine_CAS1093978-67-6
- Purity/Analytical method: >99.0%
-
-
-
2-(4-(5-(3,4-Diethoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ylamino)ethanolhydrochloride
- CAS RN: 1094042-01-9
- Product Code: starshine_CAS1094042-01-9
- Purity/Analytical method: >99.0%
![CAS 1093978-67-6 6-fluoro-3-(4-(3-Methoxy-4-(4-Methyl-1H-iMidazol-1-yl)phenyl)-1H-1,2,3-triazol-1-yl)-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1093978-67-6.gif)
