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CAS 84868-56-4 Entecavir Impurity 5 molecular structure lightbox
CAS RN: 84868-56-4

Entecavir Impurity 5

  • Product code: SSC-192575
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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: 0.1g, 0.25g, 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 84868-56-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Beijing Inquiry
0.25g >95% 5 In Stock Shenzhen Inquiry
1g >95% 5 In Stock Shenzhen Inquiry

84868-56-4 / 1-methoxy-4-[methoxy(diphenyl)methyl]benzene

Standard CAS: 84868-56-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
84868-56-4
Multi CAS
Yes
Molecular Formula
C21H20O2
Molecular Weight
304.400000
Exact Mass
304.146330
InChI
InChI=1S/C21H20O2/c1-22-20-15-13-19(14-16-20)21(23-2,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16H,1-2H3
InChIKey
OIPYPMBVSRLTGA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
92.77
TPSA
18.46

LogP / Solubility

WLOGP
4.63
MLOGP
4.09
XLogP3
4.7
Consensus LogP
4.47
Log S (ESOL)
-4.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.08
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
No
Log Kp (skin permeation)
-1.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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