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CAS 286442-89-5 1-Methyl-3-oxocyclobutane-1-carboxylic acid molecular structure lightbox
CAS RN: 286442-89-5

1-Methyl-3-oxocyclobutane-1-carboxylic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250327 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-130153
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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: 0.1g, 0.25g, 1g, 10g, 5g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 8
  • 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 286442-89-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Beijing Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
0.25g -- 1 In Stock Shanghai Inquiry
0.25g >97% 1 In Stock Shenzhen Inquiry
1g -- 1 In Stock Beijing Inquiry
1g >97% 1 In Stock Shanghai Inquiry
10g -- 1 In Stock Hong Kong Inquiry
10g >97% 1 In Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry
25g -- 0 Out of Stock Beijing Inquiry
25g >97% 0 Out of Stock Beijing Inquiry
5g -- -1 Out of Stock Beijing Inquiry

286442-89-5 / 1-methyl-3-oxocyclobutane-1-carboxylic acid

Standard CAS: 286442-89-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
286442-89-5
Multi CAS
No
Molecular Formula
C6H8O3
Molecular Weight
128.130000
Exact Mass
128.047344
InChI
InChI=1S/C6H8O3/c1-6(5(8)9)2-4(7)3-6/h2-3H2,1H3,(H,8,9)
InChIKey
GURNKGAMQJTVCQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
29.98
TPSA
54.37

LogP / Solubility

WLOGP
0.44
MLOGP
0.38
XLogP3
-0.4
Consensus LogP
0.14
Log S (ESOL)
-0.85
Class (ESOL)
Very soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.98
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)
-3.19

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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