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CAS 83164-95-8 Methyl 1,4-Epoxynaphthalene-1(4H)-Carboxylate molecular structure lightbox
CAS RN: 83164-95-8

Methyl 1,4-Epoxynaphthalene-1(4H)-Carboxylate

  • Product code: SSC-191078
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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 83164-95-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

83164-95-8 / methyl 11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-1-carboxylate

Standard CAS: 83164-95-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
83164-95-8
Multi CAS
No
Molecular Formula
C12H10O3
Molecular Weight
202.210000
Exact Mass
202.062994
InChI
InChI=1S/C12H10O3/c1-14-11(13)12-7-6-10(15-12)8-4-2-3-5-9(8)12/h2-7,10H,1H3
InChIKey
UIGDBIZVIJCOFX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
53.1
TPSA
35.53

LogP / Solubility

WLOGP
1.7
MLOGP
1.49
XLogP3
1.7
Consensus LogP
1.63
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
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)
-2.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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