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CAS 340129-94-4 (R)-tert-butyl 2-vinylpyrrolidine-1-carboxylate molecular structure lightbox
CAS RN: 340129-94-4

(R)-tert-butyl 2-vinylpyrrolidine-1-carboxylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250511 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS340129-94-4
  • Purity/Analytical Methods: >99.0%
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340129-94-4 / tert-butyl (2R)-2-ethenylpyrrolidine-1-carboxylate

Standard CAS: 340129-94-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
340129-94-4
Multi CAS
Yes
Molecular Formula
C11H19NO2
Molecular Weight
197.270000
Exact Mass
197.141579
InChI
InChI=1S/C11H19NO2/c1-5-9-7-6-8-12(9)10(13)14-11(2,3)4/h5,9H,1,6-8H2,2-4H3/t9-/m0/s1
InChIKey
HYHWHEBWKXKPGG-VIFPVBQESA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.73
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
56.16
TPSA
29.54

LogP / Solubility

WLOGP
2.57
MLOGP
2.26
XLogP3
2.3
Consensus LogP
2.38
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly 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)
-2.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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