CAS RN: 1332584-12-9
1H-Indole-1-carboxylic acid, octahydro-4-oxo-, 1,1-diMethylethyl ester
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-039932
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1332584-12-9 / tert-butyl 4-oxo-3,3a,5,6,7,7a-hexahydro-2H-indole-1-carboxylate
Basic Information
CAS
1332584-12-9
Multi CAS
No
Molecular Formula
C13H21NO3
Molecular Weight
239.310000
Exact Mass
239.152144
SMILES
CC(C)(C)OC(=O)N1CCC2C1CCCC2=O
InChI
InChI=1S/C13H21NO3/c1-13(2,3)17-12(16)14-8-7-9-10(14)5-4-6-11(9)15/h9-10H,4-8H2,1-3H3
InChIKey
GRNSGJOKGICXGO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
63.69
TPSA
46.61
LogP / Solubility
WLOGP
2.37
MLOGP
2.09
XLogP3
1.5
Consensus LogP
1.99
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.18
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
(R)-1-(2-Fluoro-3-methoxyphenyl)ethanamine hydrochloride
- CAS RN: 1332588-07-4
- Product Code: SSC-039933
-
(R)-1-(5-CHLORO-2-FLUOROPHENYL)ETHANAMINE HYDROCHLORIDE
- CAS RN: 1332593-91-5
- Product Code: SSC-039934
-
![CAS 1332594-11-2 3-(2-Chloro-1-oxopropyl)spiro[2H-1,3-benzoxazine-2,1′-cyclohexan]-4(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1332594-11-2.gif)
3-(2-Chloro-1-oxopropyl)spiro[2H-1,3-benzoxazine-2,1′-cyclohexan]-4(3H)-one
- CAS RN: 1332594-11-2
- Product Code: starshine_CAS1332594-11-2
- Purity/Analytical method: >99.0%
-
![CAS 1332612-57-3 Thieno[3,2-c]pyridine-5(4H)-acetic acid, α-(2-chlorophenyl)-6,7-dihydro-, (αS)-, ethyl ester, sulfate (1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1332612-57-3.gif)
Thieno[3,2-c]pyridine-5(4H)-acetic acid, α-(2-chlorophenyl)-6,7-dihydro-, (αS)-, ethyl ester, sulfate (1:1)
- CAS RN: 1332612-57-3
- Product Code: starshine_CAS1332612-57-3
- Purity/Analytical method: >99.0%
-
4-Methyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid
- CAS RN: 1332627-31-2
- Product Code: SSC-039940
-
Carbamic acid, N-(1,1-dioxido-3-thietanyl)-, 1,1-dimethylethyl ester
- CAS RN: 1332628-90-6
- Product Code: SSC-039941