![CAS 905274-04-6 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/905274-04-6.gif)
CAS RN: 905274-04-6
2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-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.20250628 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS905274-04-6
- Purity/Analytical Methods: >99.0%
905274-04-6 / 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
Basic Information
CAS
905274-04-6
Multi CAS
No
Molecular Formula
C7F3H6N3
Molecular Weight
189.140000
Exact Mass
189.051382
InChI
InChI=1S/C7H6F3N3/c8-7(9,10)6-12-2-4-1-11-3-5(4)13-6/h2,11H,1,3H2
InChIKey
WAXINHRGKZWFCJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.43
H-bond acceptors
3
H-bond donors
1
Molar refractivity
37.58
TPSA
37.81
LogP / Solubility
WLOGP
1.1
MLOGP
0.97
XLogP3
0.1
Consensus LogP
0.72
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
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)
-3.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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