![CAS 821794-86-9 7H-Pyrrolo[2,3-d]pyriMidin-4-aMine, 7-[3-[[(1,1-diMethylethyl)diMethylsilyl]oxy]propyl]-6-(1-ethoxyethenyl)-5-(4-Methylphenyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/821794-86-9.gif)
CAS RN: 821794-86-9
7H-Pyrrolo[2,3-d]pyriMidin-4-aMine, 7-[3-[[(1,1-diMethylethyl)diMethylsilyl]oxy]propyl]-6-(1-ethoxyethenyl)-5-(4-Methylphenyl)-
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.20260511 | 10mg / 50mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS821794-86-9
- Purity/Analytical Methods: >99.0%
821794-86-9 / 7-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-(1-ethoxyethenyl)-5-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
Basic Information
CAS
821794-86-9
Multi CAS
No
Molecular Formula
C26H38N4O2Si
Molecular Weight
466.700000
Exact Mass
466.276403
InChI
InChI=1S/C26H38N4O2Si/c1-9-31-19(3)23-21(20-13-11-18(2)12-14-20)22-24(27)28-17-29-25(22)30(23)15-10-16-32-33(7,8)26(4,5)6/h11-14,17H,3,9-10,15-16H2,1-2,4-8H3,(H2,27,28,29)
InChIKey
UYXQFMNKCKHQNJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
15
Fraction Csp3
0.46
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
1
Molar refractivity
140.54
TPSA
75.19
LogP / Solubility
WLOGP
6.41
MLOGP
5.67
XLogP3
6.41
Consensus LogP
6.16
Log S (ESOL)
-6.51
Class (ESOL)
Insoluble
Log S (Ali)
-8.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.09
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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