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CAS 331711-99-0 1,8-Naphthalenediyl Dibenzoate molecular structure lightbox
CAS RN: 331711-99-0

1,8-Naphthalenediyl Dibenzoate

  • Product code: SSC-139084
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.25g, 0.1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 331711-99-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Beijing Inquiry
5g >95% 3 In Stock Hong Kong Inquiry
0.25g >95% 2 In Stock Shanghai Inquiry
0.1g >95% 0 Out of Stock Hong Kong Inquiry

331711-99-0 / (8-benzoyloxynaphthalen-1-yl) benzoate

Standard CAS: 331711-99-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
331711-99-0
Multi CAS
No
Molecular Formula
C24H16O4
Molecular Weight
368.400000
Exact Mass
368.104859
InChI
InChI=1S/C24H16O4/c25-23(18-9-3-1-4-10-18)27-20-15-7-13-17-14-8-16-21(22(17)20)28-24(26)19-11-5-2-6-12-19/h1-16H
InChIKey
DFCIKCMSXYOIQD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
22
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
106.75
TPSA
52.6

LogP / Solubility

WLOGP
5.28
MLOGP
4.67
XLogP3
6
Consensus LogP
5.32
Log S (ESOL)
-5.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.92
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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