CAS RN: 1209458-22-9
4-BroMo-2-fluoropyriMidine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250816 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1209458-22-9
- Purity/Analytical Methods: >99.0%
1209458-22-9 / 4-bromo-2-fluoropyrimidine
4-Bromo-2-fluoropyrimidine | DTXSID50693380 | RefChem:290737
Basic Information
CAS
1209458-22-9
Multi CAS
No
Molecular Formula
C4H2BrFN2
Molecular Weight
176.970000
Exact Mass
175.938540
SMILES
C1=CN=C(N=C1Br)F
InChI
InChI=1S/C4H2BrFN2/c5-3-1-2-7-4(6)8-3/h1-2H
InChIKey
LKZPTSCEFXRIJZ-UHFFFAOYSA-N
Synonyms
4-Bromo-2-fluoropyrimidine
DTXSID50693380
RefChem:290737
DTXCID40644129
830-089-9
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
29.69
TPSA
25.78
LogP / Solubility
WLOGP
1.38
MLOGP
1.21
XLogP3
1.7
Consensus LogP
1.43
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.95
Class (SILICOS-IT)
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)
-2.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
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