![CAS 1290625-54-5 (1S,3S,4S,5R)-Rel-2-Boc-5-hydroxy-2-azabicyclo-[2.2.1]heptane-3-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1290625-54-5.gif)
CAS RN: 1290625-54-5
(1S,3S,4S,5R)-Rel-2-Boc-5-hydroxy-2-azabicyclo-[2.2.1]heptane-3-carboxylic acid
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.20250812 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1290625-54-5
- Purity/Analytical Methods: >99.0%
1290625-54-5 / (1S,3S,4S,5R)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
Basic Information
CAS
1290625-54-5
Multi CAS
No
Molecular Formula
C12H19NO5
Molecular Weight
257.280000
Exact Mass
257.126323
SMILES
CC(C)(C)OC(=O)N1[C@H]2C[C@@H]([C@H]1C(=O)O)[C@@H](C2)O
InChI
InChI=1S/C12H19NO5/c1-12(2,3)18-11(17)13-6-4-7(8(14)5-6)9(13)10(15)16/h6-9,14H,4-5H2,1-3H3,(H,15,16)/t6-,7+,8+,9-/m0/s1
InChIKey
SDTKFYMBKIVOOR-KDXUFGMBSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
62.02
TPSA
87.07
LogP / Solubility
WLOGP
0.83
MLOGP
0.74
XLogP3
0.7
Consensus LogP
0.76
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.14
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5.5
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