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CAS 890849-27-1 Methyl 1-Boc-3-pyrrolidine acetate molecular structure lightbox
CAS RN: 890849-27-1

Methyl 1-Boc-3-pyrrolidine acetate

  • Product code: SSC-200953
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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: 5g
  • Available purity: ≥95%
  • 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 890849-27-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

890849-27-1 / tert-butyl 3-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate

Standard CAS: 890849-27-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
890849-27-1
Multi CAS
Yes
Molecular Formula
C12H21NO4
Molecular Weight
243.300000
Exact Mass
243.147058
InChI
InChI=1S/C12H21NO4/c1-12(2,3)17-11(15)13-6-5-9(8-13)7-10(14)16-4/h9H,5-8H2,1-4H3
InChIKey
LEOQXSJKDMPQCT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
62.55
TPSA
55.84

LogP / Solubility

WLOGP
1.81
MLOGP
1.59
XLogP3
1.3
Consensus LogP
1.57
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
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)
-2.92

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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