![CAS 1228030-08-7 tert-butyl (3aR,4S,6aS)-octahydrocyclopenta[c]pyrrol-4-ylcarbaMate coMpound with tert-butyl (3aS,4R,6aR)-octahydrocyclopenta[c]pyrrol-4-ylcarbaMate (1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1228030-08-7.gif)
CAS RN: 1228030-08-7
tert-butyl (3aR,4S,6aS)-octahydrocyclopenta[c]pyrrol-4-ylcarbaMate coMpound with tert-butyl (3aS,4R,6aR)-octahydrocyclopenta[c]pyrrol-4-ylcarbaMate (1:1)
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.20250604 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1228030-08-7
- Purity/Analytical Methods: >99.0%
1228030-08-7 / tert-butyl N-[(3aR,4S,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]carbamate
Basic Information
CAS
1228030-08-7
Multi CAS
No
Molecular Formula
C12H22N2O2
Molecular Weight
226.320000
Exact Mass
226.168128
SMILES
CC(C)(C)OC(=O)N[C@H]1CC[C@H]2[C@@H]1CNC2
InChI
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-10-5-4-8-6-13-7-9(8)10/h8-10,13H,4-7H2,1-3H3,(H,14,15)/t8-,9+,10+/m1/s1
InChIKey
HODGRZURVLFVKM-UTLUCORTSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
62.24
TPSA
50.36
LogP / Solubility
WLOGP
1.51
MLOGP
1.33
XLogP3
1.3
Consensus LogP
1.38
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
Class (SILICOS-IT)
Moderately 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)
-3.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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