CAS RN: 2250242-12-5
Avanafil Impurity 17
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.20250207 | 10mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2250242-12-5
- Purity/Analytical Methods: >99.0%
2250242-12-5 / ethyl 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxylate
Basic Information
CAS
2250242-12-5
Multi CAS
No
Molecular Formula
C20H26N4O4
Molecular Weight
386.400000
Exact Mass
386.195405
SMILES
CCOC(=O)C1=CN=C(N=C1NCC2=CC=C(C=C2)OC)N3CCC[C@H]3CO
InChI
InChI=1S/C20H26N4O4/c1-3-28-19(26)17-12-22-20(24-10-4-5-15(24)13-25)23-18(17)21-11-14-6-8-16(27-2)9-7-14/h6-9,12,15,25H,3-5,10-11,13H2,1-2H3,(H,21,22,23)/t15-/m0/s1
InChIKey
CXEUBAJWRXRWMK-HNNXBMFYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
2
Molar refractivity
105.76
TPSA
96.81
LogP / Solubility
WLOGP
2.24
MLOGP
1.99
XLogP3
3.1
Consensus LogP
2.44
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.99
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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