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CAS 29412-62-2 Dimethyl Cubane-1,4-dicarboxylate molecular structure lightbox
CAS RN: 29412-62-2

Dimethyl Cubane-1,4-dicarboxylate

Product Availability

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9 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260124 100mg In stock Inquiry
Batchno.20250206 1g In stock Inquiry
Batchno.20251025 250mg In stock Inquiry
Batchno.20260401 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260505 100mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250829 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260425 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20251001 25g In stock Shanghai Inquiry
Batchno.20250121 5g In stock Shanghai, Shenzhen, Chengdu Inquiry
  • Product code: SSC-132221
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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 29412-62-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

29412-62-2 / dimethyl cubane-1,4-dicarboxylate

Standard CAS: 29412-62-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
29412-62-2
Multi CAS
Yes
Molecular Formula
C12H12O4
Molecular Weight
220.220000
Exact Mass
220.073559
InChI
InChI=1S/C12H12O4/c1-15-9(13)11-3-6-4(11)8-5(11)7(3)12(6,8)10(14)16-2/h3-8H,1-2H3
InChIKey
OXBMFCGRQJNAOY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
49.84
TPSA
52.6

LogP / Solubility

WLOGP
0.07
MLOGP
0.06
Consensus LogP
0.04
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.39
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)
-4.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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