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CAS RN: 1403893-61-7
4-chloro-5-fluoro-6-vinylpyriMidine
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.20251005 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1403893-61-7
- Purity/Analytical Methods: >99.0%
1403893-61-7 / 4-chloro-6-ethenyl-5-fluoropyrimidine
Basic Information
CAS
1403893-61-7
Multi CAS
No
Molecular Formula
C6H4ClFN2
Molecular Weight
158.560000
Exact Mass
158.004704
SMILES
C=CC1=C(C(=NC=N1)Cl)F
InChI
InChI=1S/C6H4ClFN2/c1-2-4-5(8)6(7)10-3-9-4/h2-3H,1H2
InChIKey
OOPSUAVKHZVJLT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
37.09
TPSA
25.78
LogP / Solubility
WLOGP
1.91
MLOGP
1.68
XLogP3
2.1
Consensus LogP
1.9
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
Class (SILICOS-IT)
Moderately 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)
-2.33
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
Acute Toxic
Irritant
Signal
Danger
GHS Hazard Statements
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P260, P261, P264, P270, P272, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P405, and P501
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![CAS 1403899-43-3 6-chloro-3,3-dimethyl-1H-pyrrolo[3,2-c]pyridin-2(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1403899-43-3(2).gif)
![CAS 1403899-44-4 6-chloro-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1403899-44-4(2).gif)
![CAS 1403901-49-4 tert-butyl 6-bromo-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1403901-49-4(2).gif)
