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CAS 227607-44-5 Cyclobutanecarboxylic acid, 1-methyl-3-oxo-, ethyl ester (9CI) molecular structure lightbox
CAS RN: 227607-44-5

Cyclobutanecarboxylic acid, 1-methyl-3-oxo-, ethyl ester (9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250529 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-110896
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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 227607-44-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

227607-44-5 / ethyl 1-methyl-3-oxocyclobutane-1-carboxylate

Standard CAS: 227607-44-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
227607-44-5
Multi CAS
No
Molecular Formula
C8H12O3
Molecular Weight
156.180000
Exact Mass
156.078644
SMILES
CCOC(=O)C1(CC(=O)C1)C
InChI
InChI=1S/C8H12O3/c1-3-11-7(10)8(2)4-6(9)5-8/h3-5H2,1-2H3
InChIKey
WULIHYFQPZMMLD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
38.98
TPSA
43.37

LogP / Solubility

WLOGP
0.92
MLOGP
0.8
XLogP3
0.3
Consensus LogP
0.67
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
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)
-3.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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