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CAS 52305-34-7 (1R)-3α-Acetyl-2,2-dimethylcyclobutane-1α-acetic acid molecular structure lightbox
CAS RN: 52305-34-7

(1R)-3α-Acetyl-2,2-dimethylcyclobutane-1α-acetic acid

  • Product code: SSC-159399
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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: 0.25g
  • 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 52305-34-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

52305-34-7 / 2-(3-acetyl-2,2-dimethylcyclobutyl)acetic acid

Standard CAS: 52305-34-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52305-34-7
Multi CAS
Yes
Molecular Formula
C10H16O3
Molecular Weight
184.230000
Exact Mass
184.109944
InChI
InChI=1S/C10H16O3/c1-6(11)8-4-7(5-9(12)13)10(8,2)3/h7-8H,4-5H2,1-3H3,(H,12,13)/t7-,8+/m1/s1
InChIKey
SIZDUQQDBXJXLQ-SFYZADRCSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.31
TPSA
54.37

LogP / Solubility

WLOGP
1.71
MLOGP
1.51
XLogP3
1
Consensus LogP
1.41
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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)
-2.63

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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