![CAS 1256834-22-6 4-chloro-7-(trifluoromethyl)pyrido[3,2-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1256834-22-6.gif)
CAS RN: 1256834-22-6
4-chloro-7-(trifluoromethyl)pyrido[3,2-d]pyrimidine
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.20250619 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1256834-22-6
- Purity/Analytical Methods: >99.0%
1256834-22-6 / 4-chloro-7-(trifluoromethyl)pyrido[3,2-d]pyrimidine
Basic Information
CAS
1256834-22-6
Multi CAS
No
Molecular Formula
C8H3ClF3N3
Molecular Weight
233.580000
Exact Mass
232.996759
SMILES
C1=C(C=NC2=C1N=CN=C2Cl)C(F)(F)F
InChI
InChI=1S/C8H3ClF3N3/c9-7-6-5(14-3-15-7)1-4(2-13-6)8(10,11)12/h1-3H
InChIKey
ZNMRQSOIKVOCBL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.12
H-bond acceptors
3
Molar refractivity
47.34
TPSA
38.67
LogP / Solubility
WLOGP
2.7
MLOGP
2.38
XLogP3
2.4
Consensus LogP
2.49
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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