[email protected]
CAS 222978-03-2 4-(BROMOMETHYL)-2-FLUOROBENZONITRILE molecular structure lightbox
CAS RN: 222978-03-2

4-(BROMOMETHYL)-2-FLUOROBENZONITRILE

Product Availability

Choose a grade to view its available package options.

8 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250624 100g In stock Shanghai Inquiry
Batchno.20250901 100mg In stock Shanghai Inquiry
Batchno.20251117 10g In stock Shanghai, Chengdu Inquiry
Batchno.20250120 1g In stock Shanghai Inquiry
Batchno.20250207 1g / 5g / 10g / 25g Out of stock 5-7 business days Inquiry
Batchno.20250421 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20251015 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250901 5g In stock Shanghai, Tianjin, Chengdu Inquiry
  • Product code: SSC-108535
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: 1g, 5g, 10g, 25g
  • Available purity: ＞97%
  • 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 222978-03-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry
10g ＞97% 0 Out of Stock Hong Kong Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

222978-03-2 / 4-(bromomethyl)-2-fluorobenzonitrile

Standard CAS: 222978-03-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
222978-03-2
Multi CAS
No
Molecular Formula
C8H5BrFN
Molecular Weight
214.030000
Exact Mass
212.958940
SMILES
C1=CC(=C(C=C1CBr)F)C#N
InChI
InChI=1S/C8H5BrFN/c9-4-6-1-2-7(5-11)8(10)3-6/h1-3H,4H2
InChIKey
DJOXAJDFHGJTAP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
43.75
TPSA
23.79

LogP / Solubility

WLOGP
2.59
MLOGP
2.28
XLogP3
2.3
Consensus LogP
2.39
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
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)
-2.19

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