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CAS 22236-12-0 1,3-BIS(DIFLUOROMETHOXY)BENZENE molecular structure lightbox
CAS RN: 22236-12-0

1,3-BIS(DIFLUOROMETHOXY)BENZENE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251226 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250626 25g In stock Shanghai Inquiry
Batchno.20251119 5g In stock Shanghai, Chengdu Inquiry
  • Product code: SSC-107064
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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 22236-12-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Beijing Inquiry

22236-12-0 / 1,3-bis(difluoromethoxy)benzene

Standard CAS: 22236-12-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22236-12-0
Multi CAS
No
Molecular Formula
C8H6F4O2
Molecular Weight
210.130000
Exact Mass
210.030392
SMILES
C1=CC(=CC(=C1)OC(F)F)OC(F)F
InChI
InChI=1S/C8H6F4O2/c9-7(10)13-5-2-1-3-6(4-5)14-8(11)12/h1-4,7-8H
InChIKey
WKUYZOKJVGOZNE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
39.71
TPSA
18.46

LogP / Solubility

WLOGP
2.89
MLOGP
2.54
XLogP3
4.1
Consensus LogP
3.18
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.95

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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