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CAS 15442-73-6 Diethyl-2,6-naphthalenedicarboxylate molecular structure lightbox
CAS RN: 15442-73-6

Diethyl-2,6-naphthalenedicarboxylate

  • Product code: SSC-063745
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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: ＞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 15442-73-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

15442-73-6 / diethyl naphthalene-2,6-dicarboxylate

Standard CAS: 15442-73-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15442-73-6
Multi CAS
No
Molecular Formula
C16H16O4
Molecular Weight
272.290000
Exact Mass
272.104859
SMILES
CCOC(=O)C1=CC2=C(C=C1)C=C(C=C2)C(=O)OCC
InChI
InChI=1S/C16H16O4/c1-3-19-15(17)13-7-5-12-10-14(16(18)20-4-2)8-6-11(12)9-13/h5-10H,3-4H2,1-2H3
InChIKey
CSNCOKSAYUDNIE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
75.86
TPSA
52.6

LogP / Solubility

WLOGP
3.19
MLOGP
2.82
XLogP3
3.6
Consensus LogP
3.2
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
Class (SILICOS-IT)
Slightly 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)
-2.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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