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CAS 2102409-83-4 2-{bicyclo[1.1.1]pentan-1-yl}propanoic acid molecular structure lightbox
CAS RN: 2102409-83-4

2-{bicyclo[1.1.1]pentan-1-yl}propanoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251109 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-100025
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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, 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 2102409-83-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

2102409-83-4 / 2-(1-bicyclo[1.1.1]pentanyl)propanoic acid

Standard CAS: 2102409-83-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2102409-83-4
Multi CAS
No
Molecular Formula
C8H12O2
Molecular Weight
140.180000
Exact Mass
140.083730
SMILES
CC(C(=O)O)C12CC(C1)C2
InChI
InChI=1S/C8H12O2/c1-5(7(9)10)8-2-6(3-8)4-8/h5-6H,2-4H2,1H3,(H,9,10)
InChIKey
ILZXKLHDGDEIBM-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
36.57
TPSA
37.3

LogP / Solubility

WLOGP
1.51
MLOGP
1.32
XLogP3
1.8
Consensus LogP
1.54
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.06
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)
-2.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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