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CAS 86708-65-8 methyl 7-oxabicyclohept-2-ene-2-carboxylate molecular structure lightbox
CAS RN: 86708-65-8

methyl 7-oxabicyclohept-2-ene-2-carboxylate

  • Product code: SSC-195978
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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: 0.1g, 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 86708-65-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

86708-65-8 / methyl 7-oxabicyclo[2.2.1]hept-2-ene-2-carboxylate

Standard CAS: 86708-65-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
86708-65-8
Multi CAS
No
Molecular Formula
C8H10O3
Molecular Weight
154.160000
Exact Mass
154.062994
InChI
InChI=1S/C8H10O3/c1-10-8(9)6-4-5-2-3-7(6)11-5/h4-5,7H,2-3H2,1H3
InChIKey
LRKZEQOMYNEBSC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
37.99
TPSA
35.53

LogP / Solubility

WLOGP
0.65
MLOGP
0.56
XLogP3
0.4
Consensus LogP
0.54
Log S (ESOL)
-1.14
Class (ESOL)
Soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.32
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)
-3.2

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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