CAS RN: 1803695-57-9
3-Bromo-2-(difluoromethyl)-6-fluoropyridine
- Product code: SSC-081081
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, 5g
- Available purity: >95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1803695-57-9 / 3-bromo-2-(difluoromethyl)-6-fluoropyridine
Basic Information
CAS
1803695-57-9
Multi CAS
No
Molecular Formula
C6H3BrF3N
Molecular Weight
225.990000
Exact Mass
224.940100
SMILES
C1=CC(=NC(=C1Br)C(F)F)F
InChI
InChI=1S/C6H3BrF3N/c7-3-1-2-4(8)11-5(3)6(9)10/h1-2,6H
InChIKey
ADYYCPCGPMRWTK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
36.85
TPSA
12.89
LogP / Solubility
WLOGP
2.92
MLOGP
2.57
XLogP3
2.6
Consensus LogP
2.7
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
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)
-2.02
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
Applications of CAS 1803695-57-9
This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 1803695-57-9 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.
Storage & Handling
Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.
Quotation & Packaging
Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.
Quality & Compliance
Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.
