![CAS 453590-24-4 6-(4-METHOXYPHENYL)FURO[2,3-D]PYRIMIDIN-4-AMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/453590-24-4.gif)
CAS RN: 453590-24-4
6-(4-METHOXYPHENYL)FURO[2,3-D]PYRIMIDIN-4-AMINE
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.20260301 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS453590-24-4
- Purity/Analytical Methods: >99.0%
453590-24-4 / 6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine
Basic Information
CAS
453590-24-4
Multi CAS
Yes
Molecular Formula
C13H11N3O2
Molecular Weight
241.240000
Exact Mass
241.085127
InChI
InChI=1S/C13H11N3O2/c1-17-9-4-2-8(3-5-9)11-6-10-12(14)15-7-16-13(10)18-11/h2-7H,1H3,(H2,14,15,16)
InChIKey
DIJLFIHLUYAZCI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
68.2
TPSA
74.17
LogP / Solubility
WLOGP
2.48
MLOGP
2.19
XLogP3
2.2
Consensus LogP
2.29
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
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)
-2.43
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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