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CAS 35658-04-9 ethyl bicyclo[2.2.1]hept-2-ylacetate molecular structure lightbox
CAS RN: 35658-04-9

ethyl bicyclo[2.2.1]hept-2-ylacetate

  • Product code: SSC-142688
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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 35658-04-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

35658-04-9 / ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate

Standard CAS: 35658-04-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35658-04-9
Multi CAS
Yes
Molecular Formula
C11H18O2
Molecular Weight
182.260000
Exact Mass
182.130680
InChI
InChI=1S/C11H18O2/c1-2-13-11(12)7-10-6-8-3-4-9(10)5-8/h8-10H,2-7H2,1H3
InChIKey
AUTDAVPVPASYDM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.91
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
50.19
TPSA
26.3

LogP / Solubility

WLOGP
2.38
MLOGP
2.09
XLogP3
2.9
Consensus LogP
2.46
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.18
Class (SILICOS-IT)
Poorly 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
5

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