CAS RN: 2250242-42-1
Avanafil Impurity 26
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.20250403 | 10mg / 25mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2250242-42-1
- Purity/Analytical Methods: >99.0%
2250242-42-1 / 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxylic acid
Basic Information
CAS
2250242-42-1
Multi CAS
No
Molecular Formula
C18H22N4O4
Molecular Weight
358.400000
Exact Mass
358.164105
SMILES
COC1=CC=C(C=C1)CNC2=NC(=NC=C2C(=O)O)N3CCC[C@@H]3CO
InChI
InChI=1S/C18H22N4O4/c1-26-14-6-4-12(5-7-14)9-19-16-15(17(24)25)10-20-18(21-16)22-8-2-3-13(22)11-23/h4-7,10,13,23H,2-3,8-9,11H2,1H3,(H,24,25)(H,19,20,21)/t13-/m0/s1
InChIKey
QOBLCWBBKFBHQF-ZDUSSCGKSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
3
Molar refractivity
96.77
TPSA
107.81
LogP / Solubility
WLOGP
1.76
MLOGP
1.56
XLogP3
2.4
Consensus LogP
1.91
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.29
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.66
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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