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CAS 826-34-6 DIMETHYL CIS-1,2-CYCLOPROPANEDICARBOXYLATE molecular structure lightbox
CAS RN: 826-34-6

DIMETHYL CIS-1,2-CYCLOPROPANEDICARBOXYLATE

  • Product code: SSC-190689
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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: ≥98%
  • 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 826-34-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Beijing Inquiry

826-34-6 / cis-dimethyl (1R,2S)-cyclopropane-1,2-dicarboxylate

Standard CAS: 826-34-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
826-34-6
Multi CAS
Yes
Molecular Formula
C7H10O4
Molecular Weight
158.150000
Exact Mass
158.057909
InChI
InChI=1S/C7H10O4/c1-10-6(8)4-3-5(4)7(9)11-2/h4-5H,3H2,1-2H3/t4-,5+
InChIKey
JBVOSZYUSFDYIN-SYDPRGILSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
35.63
TPSA
52.6

LogP / Solubility

WLOGP
-0.03
MLOGP
-0.03
XLogP3
0.1
Consensus LogP
0.01
Log S (ESOL)
-0.67
Class (ESOL)
Very soluble
Log S (Ali)
-0.83
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.9
Class (SILICOS-IT)
Very 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)
-3.71

Drug-likeness / Medicinal Chemistry

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

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