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CAS 933-47-1 2-(1-methylcyclopentyl)acetic acid molecular structure lightbox
CAS RN: 933-47-1

2-(1-methylcyclopentyl)acetic acid

  • Product code: SSC-207285
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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 933-47-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

933-47-1 / 2-(1-methylcyclopentyl)acetic acid

Standard CAS: 933-47-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
933-47-1
Multi CAS
No
Molecular Formula
C8H14O2
Molecular Weight
142.200000
Exact Mass
142.099380
InChI
InChI=1S/C8H14O2/c1-8(6-7(9)10)4-2-3-5-8/h2-6H2,1H3,(H,9,10)
InChIKey
ZHQAIBYWBFMHHQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.83
TPSA
37.3

LogP / Solubility

WLOGP
2.04
MLOGP
1.79
XLogP3
2.3
Consensus LogP
2.04
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-2.14

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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