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CAS 13343-92-5 METHYL 2-METHOXY-1-NAPHTHOATE molecular structure lightbox
CAS RN: 13343-92-5

METHYL 2-METHOXY-1-NAPHTHOATE

  • Product code: SSC-040159
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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: 5g
  • Available purity: ＞97%
  • 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 13343-92-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

13343-92-5 / methyl 2-methoxynaphthalene-1-carboxylate

Standard CAS: 13343-92-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13343-92-5
Multi CAS
No
Molecular Formula
C13H12O3
Molecular Weight
216.230000
Exact Mass
216.078644
SMILES
COC1=C(C2=CC=CC=C2C=C1)C(=O)OC
InChI
InChI=1S/C13H12O3/c1-15-11-8-7-9-5-3-4-6-10(9)12(11)13(14)16-2/h3-8H,1-2H3
InChIKey
BDXGQHHFVPQVAQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.15
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
61.84
TPSA
35.53

LogP / Solubility

WLOGP
2.64
MLOGP
2.32
XLogP3
3
Consensus LogP
2.65
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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