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CAS 1251003-99-2 RaceMic cis-4,6-dioxo- hexahydro-pyrrolo[3,4-c]pyrrole-2-carboxylic acid tert-butyl ester molecular structure lightbox
CAS RN: 1251003-99-2

RaceMic cis-4,6-dioxo- hexahydro-pyrrolo[3,4-c]pyrrole-2-carboxylic acid tert-butyl ester

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250113 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-029684
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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 1251003-99-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1251003-99-2 / tert-butyl (3aS,6aR)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-5-carboxylate

Standard CAS: 1251003-99-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1251003-99-2
Multi CAS
No
Molecular Formula
C11H16N2O4
Molecular Weight
240.260000
Exact Mass
240.111007
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)C(=O)NC2=O
InChI
InChI=1S/C11H16N2O4/c1-11(2,3)17-10(16)13-4-6-7(5-13)9(15)12-8(6)14/h6-7H,4-5H2,1-3H3,(H,12,14,15)/t6-,7+
InChIKey
USCALLITBKYYAE-KNVOCYPGSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.73
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.94
TPSA
75.71

LogP / Solubility

WLOGP
0.13
MLOGP
0.12
XLogP3
-0.3
Consensus LogP
-0.02
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.33
Class (SILICOS-IT)
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)
-4.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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