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CAS 84520-67-2 (2S,4R)-1-tert-Butyl 2-methyl 4-((methylsulfonyl)oxy)pyrrolidine-1,2-dicarboxylate molecular structure lightbox
CAS RN: 84520-67-2

(2S,4R)-1-tert-Butyl 2-methyl 4-((methylsulfonyl)oxy)pyrrolidine-1,2-dicarboxylate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250521 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-192023
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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: ≥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 84520-67-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

84520-67-2 / 1-O-tert-butyl 2-O-methyl (2S,4R)-4-methylsulfonyloxypyrrolidine-1,2-dicarboxylate

Standard CAS: 84520-67-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
84520-67-2
Multi CAS
Yes
Molecular Formula
C12H21NO7S
Molecular Weight
323.360000
Exact Mass
323.103873
InChI
InChI=1S/C12H21NO7S/c1-12(2,3)19-11(15)13-7-8(20-21(5,16)17)6-9(13)10(14)18-4/h8-9H,6-7H2,1-5H3/t8-,9+/m1/s1
InChIKey
QXGDJXLJHBZELB-BDAKNGLRSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
7
Molar refractivity
73.08
TPSA
99.21

LogP / Solubility

WLOGP
0.51
MLOGP
0.47
XLogP3
0.7
Consensus LogP
0.56
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5

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