CAS RN: 1932435-72-7
tert-butyl ((3R,4S)-3-hydroxytetrahydro-2H-pyran-4-yl)carbamate
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.20250328 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1932435-72-7
- Purity/Analytical Methods: >99.0%
1932435-72-7 / tert-butyl N-[(3R,4S)-3-hydroxyoxan-4-yl]carbamate
Basic Information
CAS
1932435-72-7
Multi CAS
No
Molecular Formula
C10H19NO4
Molecular Weight
217.260000
Exact Mass
217.131408
SMILES
CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1O
InChI
InChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11-7-4-5-14-6-8(7)12/h7-8,12H,4-6H2,1-3H3,(H,11,13)/t7-,8-/m0/s1
InChIKey
KWKVNKDJIRDXRH-YUMQZZPRSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
54.6
TPSA
67.79
LogP / Solubility
WLOGP
0.66
MLOGP
0.58
XLogP3
0.4
Consensus LogP
0.55
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
Class (SILICOS-IT)
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)
-3.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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