![CAS 490030-16-5 4-chloro-5-(4-phenoxyphenyl)-7-(1,4-dioxaspiro[4.5]decan-8-yl)-7H-pyrrolo[2,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/490030-16-5.gif)
CAS RN: 490030-16-5
4-chloro-5-(4-phenoxyphenyl)-7-(1,4-dioxaspiro[4.5]decan-8-yl)-7H-pyrrolo[2,3-d]pyrimidine
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.20260413 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS490030-16-5
- Purity/Analytical Methods: >99.0%
490030-16-5 / 4-chloro-7-(1,4-dioxaspiro[4.5]decan-8-yl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidine
Basic Information
CAS
490030-16-5
Multi CAS
No
Molecular Formula
C26H24CLN3O3
Molecular Weight
461.900000
Exact Mass
461.150619
InChI
InChI=1S/C26H24ClN3O3/c27-24-23-22(18-6-8-21(9-7-18)33-20-4-2-1-3-5-20)16-30(25(23)29-17-28-24)19-10-12-26(13-11-19)31-14-15-32-26/h1-9,16-17,19H,10-15H2
InChIKey
GWKQACZYRHXBFA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
21
Fraction Csp3
0.31
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
126.63
TPSA
58.4
LogP / Solubility
WLOGP
6.4
MLOGP
5.67
XLogP3
5.4
Consensus LogP
5.82
Log S (ESOL)
-6.94
Class (ESOL)
Insoluble
Log S (Ali)
-7.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.46
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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