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CAS 88798-08-7 1-(benzyloxy)-4-(difluoroMethoxy)benzene molecular structure lightbox
CAS RN: 88798-08-7

1-(benzyloxy)-4-(difluoroMethoxy)benzene

  • Product code: SSC-200519
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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: 0.25g
  • 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 88798-08-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry

88798-08-7 / 1-(difluoromethoxy)-4-phenylmethoxybenzene

Standard CAS: 88798-08-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
88798-08-7
Multi CAS
No
Molecular Formula
C14F2H12O2
Molecular Weight
250.240000
Exact Mass
250.080536
InChI
InChI=1S/C14H12F2O2/c15-14(16)18-13-8-6-12(7-9-13)17-10-11-4-2-1-3-5-11/h1-9,14H,10H2
InChIKey
BTRDDSVHQZPIMR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
63.85
TPSA
18.46

LogP / Solubility

WLOGP
3.87
MLOGP
3.41
XLogP3
4.7
Consensus LogP
3.99
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.1
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)
-1.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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