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CAS 115393-77-6 (S)-tert-butyl 2-vinylpyrrolidine-1-carboxylate molecular structure lightbox
CAS RN: 115393-77-6

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

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250718 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-015146
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 115393-77-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

115393-77-6 / tert-butyl (2S)-2-ethenylpyrrolidine-1-carboxylate

(2S)-N-tert-butoxycarbonyl-2-vinylpyrrolidine | DTXSID00454645 | RefChem:207056

Standard CAS: 115393-77-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
115393-77-6
Multi CAS
Yes
Molecular Formula
C11H19NO2
Molecular Weight
197.270000
Exact Mass
197.141579
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1C=C
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-/m1/s1
InChIKey
HYHWHEBWKXKPGG-SECBINFHSA-N
Synonyms
(2S)-N-tert-butoxycarbonyl-2-vinylpyrrolidine DTXSID00454645 RefChem:207056 DTXCID90405464 (S)-tert-butyl 2-vinylpyrrolidine-1-carboxylate

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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