CAS RN: 344359-25-7
NCGC00262650
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.20260305 | 1mg / 5mg / 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS344359-25-7
- Purity/Analytical Methods: >99.0%
344359-25-7 / 7-cyclopentyl-5-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
Basic Information
CAS
344359-25-7
Multi CAS
No
Molecular Formula
C18H20N4O
Molecular Weight
308.400000
Exact Mass
308.163711
InChI
InChI=1S/C18H20N4O/c1-23-14-8-6-12(7-9-14)15-10-22(13-4-2-3-5-13)18-16(15)17(19)20-11-21-18/h6-11,13H,2-5H2,1H3,(H2,19,20,21)
InChIKey
BRUSFAZPHIPJRR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
91.43
TPSA
65.96
LogP / Solubility
WLOGP
3.8
MLOGP
3.36
XLogP3
3
Consensus LogP
3.39
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.18
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.9
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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