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CAS 54978-55-1 Phenyl 1,4-Dihydroxy-2-naphthoate molecular structure lightbox
CAS RN: 54978-55-1

Phenyl 1,4-Dihydroxy-2-naphthoate

  • Product code: SSC-162814
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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: 25g
  • 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 54978-55-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

54978-55-1 / phenyl 1,4-dihydroxynaphthalene-2-carboxylate

Standard CAS: 54978-55-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54978-55-1
Multi CAS
No
Molecular Formula
C17H12O4
Molecular Weight
280.270000
Exact Mass
280.073559
InChI
InChI=1S/C17H12O4/c18-15-10-14(16(19)13-9-5-4-8-12(13)15)17(20)21-11-6-2-1-3-7-11/h1-10,18-19H
InChIKey
XDUXGEPGVNWEBQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
78.68
TPSA
66.76

LogP / Solubility

WLOGP
3.47
MLOGP
3.06
XLogP3
4.4
Consensus LogP
3.64
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.6
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)
-1.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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