CAS RN: 1620401-83-3
UNC0379 (trifluoroacetate)
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.20250927 | 5mg / 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1620401-83-3
- Purity/Analytical Methods: >99.0%
1620401-83-3 / 6,7-dimethoxy-2-pyrrolidin-1-yl-N-(5-pyrrolidin-1-ylpentyl)quinazolin-4-amine;2,2,2-trifluoroacetic acid
Basic Information
CAS
1620401-83-3
Multi CAS
No
Molecular Formula
C25H36F3N5O4
Molecular Weight
527.600000
Exact Mass
527.271939
SMILES
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCCC3)NCCCCCN4CCCC4)OC.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C23H35N5O2.C2HF3O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27;3-2(4,5)1(6)7/h16-17H,3-15H2,1-2H3,(H,24,25,26);(H,6,7)
InChIKey
NRGGPYZTHNAVFM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
10
Fraction Csp3
0.64
Rotatable bonds
10
H-bond acceptors
8
H-bond donors
2
Molar refractivity
135.79
TPSA
100.05
LogP / Solubility
WLOGP
4.56
MLOGP
4.05
XLogP3
4.56
Consensus LogP
4.39
Log S (ESOL)
-5.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.07
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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