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CAS 885278-03-5 3-BROMO-4-OXO-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER molecular structure lightbox
CAS RN: 885278-03-5

3-BROMO-4-OXO-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

  • Product code: SSC-199387
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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, 0.25g, 0.1g, 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 885278-03-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry
0.25g >95% 0 Out of Stock Shanghai Inquiry
0.1g >95% 0 Out of Stock Beijing Inquiry
5g >95% 0 Out of Stock Shenzhen Inquiry

885278-03-5 / tert-butyl 3-bromo-4-oxopyrrolidine-1-carboxylate

Standard CAS: 885278-03-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
885278-03-5
Multi CAS
Yes
Molecular Formula
BC9H14O3Rn
Molecular Weight
264.120000
Exact Mass
263.015710
InChI
InChI=1S/C9H14BrNO3/c1-9(2,3)14-8(13)11-4-6(10)7(12)5-11/h6H,4-5H2,1-3H3
InChIKey
JLGDEUGSXALHGU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.78
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
55.53
TPSA
46.61

LogP / Solubility

WLOGP
1.57
MLOGP
1.39
XLogP3
1.6
Consensus LogP
1.52
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.22

Drug-likeness / Medicinal Chemistry

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

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