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CAS 550371-69-2 (S)-tert-butyl 3-Methoxypyrrolidine-1-carboxylate molecular structure lightbox
CAS RN: 550371-69-2

(S)-tert-butyl 3-Methoxypyrrolidine-1-carboxylate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251227 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS550371-69-2
  • Purity/Analytical Methods: >99.0%
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550371-69-2 / tert-butyl (3S)-3-methoxypyrrolidine-1-carboxylate

Standard CAS: 550371-69-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
550371-69-2
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-/m0/s1
InChIKey
NGIGLOKJPWGIJT-QMMMGPOBSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
53.22
TPSA
38.77

LogP / Solubility

WLOGP
1.64
MLOGP
1.45
XLogP3
1.2
Consensus LogP
1.43
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
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)
-2.78

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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