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CAS 695-95-4 METHYL 3-OXOCYCLOBUTANECARBOXYLATE molecular structure lightbox
CAS RN: 695-95-4

METHYL 3-OXOCYCLOBUTANECARBOXYLATE

Product Availability

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6 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250831 100g Out of stock Inquiry
Batchno.20250817 10g In stock Shanghai Inquiry
Batchno.20260106 1kg Out of stock Inquiry
Batchno.20251204 25g Out of stock Inquiry
Batchno.20260319 500g Out of stock Inquiry
Batchno.20250704 5g In stock Shanghai Inquiry
  • Product code: SSC-179196
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g, 500g, 1000g
  • Available purity: ≥97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 695-95-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Shanghai Inquiry
5g ≥97% 5 In Stock Beijing Inquiry
10g ≥97% 2 In Stock Shenzhen Inquiry
25g ≥97% 0 Out of Stock Shenzhen Inquiry
100g ≥97% 0 Out of Stock Shenzhen Inquiry
500g ≥97% 0 Out of Stock Shanghai Inquiry
1000g ≥97% 0 Out of Stock Shenzhen Inquiry

695-95-4 / methyl 3-oxocyclobutane-1-carboxylate

Standard CAS: 695-95-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
695-95-4
Multi CAS
Yes
Molecular Formula
C6H8O3
Molecular Weight
128.130000
Exact Mass
128.047344
InChI
InChI=1S/C6H8O3/c1-9-6(8)4-2-5(7)3-4/h4H,2-3H2,1H3
InChIKey
IHLHSAIBOSSHQV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
29.75
TPSA
43.37

LogP / Solubility

WLOGP
0.14
MLOGP
0.11
XLogP3
-0.5
Consensus LogP
-0.08
Log S (ESOL)
-0.66
Class (ESOL)
Very soluble
Log S (Ali)
-0.71
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.73
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)
-3.4

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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