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CAS 3854-83-9 Cyclobutanecarboxylic acid, 3,3-diMethyl-, Methyl ester molecular structure lightbox
CAS RN: 3854-83-9

Cyclobutanecarboxylic acid, 3,3-diMethyl-, Methyl ester

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250304 500mg In stock Shanghai Inquiry
  • Product code: SSC-146184
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥97%
  • 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 3854-83-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 0 Out of Stock Shanghai Inquiry
0.25g ≥97% 0 Out of Stock Shanghai Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry

3854-83-9 / methyl 3,3-dimethylcyclobutane-1-carboxylate

Standard CAS: 3854-83-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3854-83-9
Multi CAS
No
Molecular Formula
C8H14O2
Molecular Weight
142.200000
Exact Mass
142.099380
InChI
InChI=1S/C8H14O2/c1-8(2)4-6(5-8)7(9)10-3/h6H,4-5H2,1-3H3
InChIKey
CHNSELMPFKJRDN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
38.52
TPSA
26.3

LogP / Solubility

WLOGP
1.6
MLOGP
1.4
XLogP3
1.8
Consensus LogP
1.6
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
Class (SILICOS-IT)
Moderately 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)
-2.45

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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