![CAS 1310381-24-8 Racemic-(3aR,5S,7aR)-tert-butyl 5-(hydroxymethyl)hexahydropyrano[3,2-b]pyrrole-1(2H)-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1310381-24-8.gif)
CAS RN: 1310381-24-8
Racemic-(3aR,5S,7aR)-tert-butyl 5-(hydroxymethyl)hexahydropyrano[3,2-b]pyrrole-1(2H)-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.20260430 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1310381-24-8
- Purity/Analytical Methods: >99.0%
1310381-24-8 / tert-butyl (3aR,5S,7aR)-5-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxylate
Basic Information
CAS
1310381-24-8
Multi CAS
No
Molecular Formula
C13H23NO4
Molecular Weight
257.330000
Exact Mass
257.162708
SMILES
CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CC[C@H](O2)CO
InChI
InChI=1S/C13H23NO4/c1-13(2,3)18-12(16)14-7-6-11-10(14)5-4-9(8-15)17-11/h9-11,15H,4-8H2,1-3H3/t9-,10+,11+/m0/s1
InChIKey
DDODHLUDMIVDHJ-HBNTYKKESA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
66.33
TPSA
59
LogP / Solubility
WLOGP
1.54
MLOGP
1.36
XLogP3
1.1
Consensus LogP
1.33
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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