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CAS 6603-71-0 4-METHYLCYCLOHEXANEACETIC ACID molecular structure lightbox
CAS RN: 6603-71-0

4-METHYLCYCLOHEXANEACETIC ACID

  • Product code: SSC-175657
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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 6603-71-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

6603-71-0 / 2-(4-methylcyclohexyl)acetic acid

Standard CAS: 6603-71-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6603-71-0
Multi CAS
No
Molecular Formula
C9H16O2
Molecular Weight
156.220000
Exact Mass
156.115030
InChI
InChI=1S/C9H16O2/c1-7-2-4-8(5-3-7)6-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)
InChIKey
OQZGYMRYZAKXAF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.37
TPSA
37.3

LogP / Solubility

WLOGP
2.29
MLOGP
2.01
XLogP3
2.7
Consensus LogP
2.33
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
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)
-2.05

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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