![CAS 1251012-14-2 Racemic-(3aR,4R,6aS)-tert-butyl 4-aminohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate(WX110042) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251012-14-2.gif)
CAS RN: 1251012-14-2
Racemic-(3aR,4R,6aS)-tert-butyl 4-aminohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate(WX110042)
- Product code: SSC-029721
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 | Beijing | Inquiry |
1251012-14-2 / tert-butyl (3aR,4R,6aS)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
Basic Information
CAS
1251012-14-2
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-KXUCPTDWSA-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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