![CAS 1251012-52-8 Racemic-(3aR,4R,6aS)-tert-butyl 4-(aminomethyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251012-52-8.gif)
CAS RN: 1251012-52-8
Racemic-(3aR,4R,6aS)-tert-butyl 4-(aminomethyl)hexahydrocyclopenta[c]pyrrole-2(1H)-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.20260121 | 1mg / 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1251012-52-8
- Purity/Analytical Methods: >99.0%
1251012-52-8 / tert-butyl (3aR,4R,6aS)-4-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
Basic Information
CAS
1251012-52-8
Multi CAS
No
Molecular Formula
C13H24N2O2
Molecular Weight
240.340000
Exact Mass
240.183778
SMILES
CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]([C@H]2C1)CN
InChI
InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-7-10-5-4-9(6-14)11(10)8-15/h9-11H,4-8,14H2,1-3H3/t9-,10+,11+/m0/s1
InChIKey
GBPFKXPJCJSCBK-HBNTYKKESA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.57
TPSA
55.56
LogP / Solubility
WLOGP
1.84
MLOGP
1.62
XLogP3
1.2
Consensus LogP
1.55
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
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)
-2.88
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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