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CAS 149680-86-4 3,3-dicyclopropylpropanoic acid molecular structure lightbox
CAS RN: 149680-86-4

3,3-dicyclopropylpropanoic acid

  • Product code: SSC-059638
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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: 0.05g, 0.1g, 0.25g, 1g
  • 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 149680-86-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥95% 0 Out of Stock Shanghai Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

149680-86-4 / 3,3-dicyclopropylpropanoic acid

Standard CAS: 149680-86-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
149680-86-4
Multi CAS
No
Molecular Formula
C9H14O2
Molecular Weight
154.210000
Exact Mass
154.099380
SMILES
C1CC1C(CC(=O)O)C2CC2
InChI
InChI=1S/C9H14O2/c10-9(11)5-8(6-1-2-6)7-3-4-7/h6-8H,1-5H2,(H,10,11)
InChIKey
ZTAJBRHCEIFMNU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.89
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.19
TPSA
37.3

LogP / Solubility

WLOGP
1.9
MLOGP
1.66
XLogP3
2.2
Consensus LogP
1.92
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
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)
-2.31

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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