CAS RN: 549532-08-3
(R)-3-Methoxy-pyrrolidine-1-carboxylic acid tert-butyl ester
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.20260404 | 1g / 5g / 100g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS549532-08-3
- Purity/Analytical Methods: >99.0%
549532-08-3 / tert-butyl 2-methoxypyrrolidine-1-carboxylate
Basic Information
CAS
549532-08-3
Multi CAS
Yes
Molecular Formula
C10H19NO3
Molecular Weight
201.260000
Exact Mass
201.136493
InChI
InChI=1S/C10H19NO3/c1-10(2,3)14-9(12)11-6-5-8(7-11)13-4/h8H,5-7H2,1-4H3/t8-/m1/s1
InChIKey
NGIGLOKJPWGIJT-MRVPVSSYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
52.97
TPSA
38.77
LogP / Solubility
WLOGP
1.99
MLOGP
1.75
XLogP3
1.6
Consensus LogP
1.78
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-2.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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