[email protected]
CAS 85684-64-6 2-(DIFLUOROMETHOXY)BENZYL BROMIDE molecular structure lightbox
CAS RN: 85684-64-6

2-(DIFLUOROMETHOXY)BENZYL BROMIDE

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260308 100g In stock Shanghai Inquiry
Batchno.20251110 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250512 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250711 5g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-194205
GET A QUOTE
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: >98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 85684-64-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >98% 0 Out of Stock Beijing Inquiry

85684-64-6 / 1-(bromomethyl)-2-(difluoromethoxy)benzene

Standard CAS: 85684-64-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
85684-64-6
Multi CAS
No
Molecular Formula
BC8H7ORf2
Molecular Weight
237.040000
Exact Mass
235.964830
InChI
InChI=1S/C8H7BrF2O/c9-5-6-3-1-2-4-7(6)12-8(10)11/h1-4,8H,5H2
InChIKey
JSYYKHKAGPBIHF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
45.71
TPSA
9.23

LogP / Solubility

WLOGP
3.18
MLOGP
2.81
XLogP3
3.5
Consensus LogP
3.16
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.2
Class (SILICOS-IT)
Slightly 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)
-1.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us