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CAS 52034-92-1 DICYCLOHEXYLACETIC ACID molecular structure lightbox
CAS RN: 52034-92-1

DICYCLOHEXYLACETIC ACID

  • Product code: SSC-159103
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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: ≥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 52034-92-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

52034-92-1 / 2,2-dicyclohexylacetic acid

Standard CAS: 52034-92-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
52034-92-1
Multi CAS
No
Molecular Formula
C14H24O2
Molecular Weight
224.340000
Exact Mass
224.177630
InChI
InChI=1S/C14H24O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-13H,1-10H2,(H,15,16)
InChIKey
PGGMEZOUAPIYOY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.93
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
64.28
TPSA
37.3

LogP / Solubility

WLOGP
3.85
MLOGP
3.39
XLogP3
5.2
Consensus LogP
4.15
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.67
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.36

Drug-likeness / Medicinal Chemistry

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

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