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CAS 59883-07-7 RUBIDATE UV molecular structure lightbox
CAS RN: 59883-07-7

RUBIDATE UV

  • Product code: SSC-168455
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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 59883-07-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

59883-07-7 / diethyl 1,4-dihydroxynaphthalene-2,3-dicarboxylate

Standard CAS: 59883-07-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
59883-07-7
Multi CAS
No
Molecular Formula
C16H16O6
Molecular Weight
304.290000
Exact Mass
304.094688
InChI
InChI=1S/C16H16O6/c1-3-21-15(19)11-12(16(20)22-4-2)14(18)10-8-6-5-7-9(10)13(11)17/h5-8,17-18H,3-4H2,1-2H3
InChIKey
GTBYFJITPRWOBT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
10
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
79.19
TPSA
93.06

LogP / Solubility

WLOGP
2.6
MLOGP
2.3
XLogP3
4
Consensus LogP
2.97
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.94
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.28
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73

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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