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CAS 824-62-4 BICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 824-62-4

BICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID

  • Product code: SSC-190556
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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: ≥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 824-62-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

824-62-4 / bicyclo[2.2.1]heptane-2-carboxylic acid

Standard CAS: 824-62-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
824-62-4
Multi CAS
Yes
Molecular Formula
C8H12O2
Molecular Weight
140.180000
Exact Mass
140.083730
InChI
InChI=1S/C8H12O2/c9-8(10)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2,(H,9,10)
InChIKey
JESWDXIHOJGWBP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.88
Rotatable bonds
1
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)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
Class (SILICOS-IT)
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
5

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