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CAS 81687-90-3 methyl 4-methoxybicyclo[2.2.2]octane-1-carboxylate molecular structure lightbox
CAS RN: 81687-90-3

methyl 4-methoxybicyclo[2.2.2]octane-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250311 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-190055
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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 81687-90-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

81687-90-3 / methyl 4-methoxybicyclo[2.2.2]octane-1-carboxylate

Standard CAS: 81687-90-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
81687-90-3
Multi CAS
No
Molecular Formula
C11H18O3
Molecular Weight
198.260000
Exact Mass
198.125594
InChI
InChI=1S/C11H18O3/c1-13-9(12)10-3-6-11(14-2,7-4-10)8-5-10/h3-8H2,1-2H3
InChIKey
TWHSJYNLZOOXJK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
51.89
TPSA
35.53

LogP / Solubility

WLOGP
1.9
MLOGP
1.67
XLogP3
1.3
Consensus LogP
1.62
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
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)
-2.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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