![CAS 1251012-40-4 Racemic-(3aR,4S,6aS)-tert-butyl 4-aminohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251012-40-4.gif)
CAS RN: 1251012-40-4
Racemic-(3aR,4S,6aS)-tert-butyl 4-aminohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250507 | 100mg / 500mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1251012-40-4
- Purity/Analytical Methods: >99.0%
1251012-40-4 / tert-butyl (3aR,4S,6aS)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
Basic Information
CAS
1251012-40-4
Multi CAS
No
Molecular Formula
C12H22N2O2
Molecular Weight
226.320000
Exact Mass
226.168128
SMILES
CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H]([C@H]2C1)N
InChI
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-6-8-4-5-10(13)9(8)7-14/h8-10H,4-7,13H2,1-3H3/t8-,9+,10+/m1/s1
InChIKey
VMUXGMBHACBHJJ-UTLUCORTSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62
TPSA
55.56
LogP / Solubility
WLOGP
1.59
MLOGP
1.4
XLogP3
1
Consensus LogP
1.33
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
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)
-2.97
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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