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CAS 2607-03-6 CIS-1,2-CYCLOBUTANEDICARBOXYLIC ACID DIMETHYL ESTER molecular structure lightbox
CAS RN: 2607-03-6

CIS-1,2-CYCLOBUTANEDICARBOXYLIC ACID DIMETHYL ESTER

Product Availability

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3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250729 100mg In stock Shenzhen Inquiry
Batchno.20250321 1g Out of stock Inquiry
Batchno.20250827 250mg Out of stock Inquiry
  • Product code: SSC-122919
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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 2607-03-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

2607-03-6 / dimethyl cyclobutane-1,2-dicarboxylate

Standard CAS: 2607-03-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2607-03-6
Multi CAS
No
Molecular Formula
C8H12O4
Molecular Weight
172.180000
Exact Mass
172.073559
SMILES
COC(=O)C1CCC1C(=O)OC
InChI
InChI=1S/C8H12O4/c1-11-7(9)5-3-4-6(5)8(10)12-2/h5-6H,3-4H2,1-2H3
InChIKey
WEPHXFVXUXMCLE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
40.25
TPSA
52.6

LogP / Solubility

WLOGP
0.36
MLOGP
0.31
XLogP3
0.4
Consensus LogP
0.36
Log S (ESOL)
-1
Class (ESOL)
Soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.32
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)
-3.52

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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