[email protected]
CAS 848444-88-2 1-tert-butyl 2-methyl 3,3-dimethyl-4-oxopyrrolidine-1,2-dicarboxylate molecular structure lightbox
CAS RN: 848444-88-2

1-tert-butyl 2-methyl 3,3-dimethyl-4-oxopyrrolidine-1,2-dicarboxylate

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250130 100mg In stock Shanghai Inquiry
Batchno.20250123 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250402 250mg In stock Shenzhen Inquiry
Batchno.20251225 5g In stock Shenzhen Inquiry
  • Product code: SSC-192528
GET A QUOTE
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
Request Bulk Quote

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 848444-88-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

848444-88-2 / 1-O-tert-butyl 2-O-methyl (2S)-3,3-dimethyl-4-oxopyrrolidine-1,2-dicarboxylate

Standard CAS: 848444-88-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
848444-88-2
Multi CAS
Yes
Molecular Formula
C13H21NO5
Molecular Weight
271.310000
Exact Mass
271.141973
InChI
InChI=1S/C13H21NO5/c1-12(2,3)19-11(17)14-7-8(15)13(4,5)9(14)10(16)18-6/h9H,7H2,1-6H3
InChIKey
YBHLDAHDAOFWGW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.77
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
67.53
TPSA
72.91

LogP / Solubility

WLOGP
1.37
MLOGP
1.22
XLogP3
1.5
Consensus LogP
1.36
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
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)
-3.4

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us