CAS RN: 1799420-93-1
2-BroMo-3-chloro-5-difluoroMethoxy-pyridine
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-080267
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
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1799420-93-1 / 2-bromo-3-chloro-5-(difluoromethoxy)pyridine
Basic Information
CAS
1799420-93-1
Multi CAS
No
Molecular Formula
C6H3BrClF2NO
Molecular Weight
258.450000
Exact Mass
256.905460
SMILES
C1=C(C=NC(=C1Cl)Br)OC(F)F
InChI
InChI=1S/C6H3BrClF2NO/c7-5-4(8)1-3(2-11-5)12-6(9)10/h1-2,6H
InChIKey
CGQADEKKYGZPRK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
43.58
TPSA
22.12
LogP / Solubility
WLOGP
3.1
MLOGP
2.73
XLogP3
3.4
Consensus LogP
3.08
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.15
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)
-2.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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