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CAS 27943-47-1 Bicyclo[2.2.1]heptane-2,5-dione molecular structure lightbox
CAS RN: 27943-47-1

Bicyclo[2.2.1]heptane-2,5-dione

  • Product code: SSC-128463
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 5g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 27943-47-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Beijing Inquiry
0.25g >95% 5 In Stock Hong Kong Inquiry
5g >95% 5 In Stock Beijing Inquiry
1g >95% 1 In Stock Hong Kong Inquiry

27943-47-1 / bicyclo[2.2.1]heptane-2,5-dione

Standard CAS: 27943-47-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
27943-47-1
Multi CAS
Yes
Molecular Formula
C7H8O2
Molecular Weight
124.140000
Exact Mass
124.052429
InChI
InChI=1S/C7H8O2/c8-6-2-4-1-5(6)3-7(4)9/h4-5H,1-3H2
InChIKey
RVFBNLMXCXFOET-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.71
H-bond acceptors
2
Molar refractivity
30.84
TPSA
34.14

LogP / Solubility

WLOGP
0.55
MLOGP
0.48
XLogP3
-0.4
Consensus LogP
0.21
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.93
Class (SILICOS-IT)
Very 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)
-3.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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