![CAS 1032754-93-0 (S)-1-[4-[[2-(2-Aminopyrimidin-5-yl)-7-methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1032754-93-0.gif)
CAS RN: 1032754-93-0
(S)-1-[4-[[2-(2-Aminopyrimidin-5-yl)-7-methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250408 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS1032754-93-0
- Purity/Analytical Methods: >99.0%
1032754-93-0 / (2S)-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one
Apitolisib | GDC-0980 | RG7422
Basic Information
CAS
1032754-93-0
Multi CAS
Yes
Molecular Formula
C23H30N8O3S
Molecular Weight
498.600000
Exact Mass
498.216158
SMILES
CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O
InChI
InChI=1S/C23H30N8O3S/c1-14-17(13-29-3-5-31(6-4-29)22(33)15(2)32)35-19-18(14)27-20(16-11-25-23(24)26-12-16)28-21(19)30-7-9-34-10-8-30/h11-12,15,32H,3-10,13H2,1-2H3,(H2,24,25,26)/t15-/m0/s1
InChIKey
YOVVNQKCSKSHKT-HNNXBMFYSA-N
Synonyms
Apitolisib
GDC-0980
RG7422
GNE 390
1C854K1MIJ
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
15
Fraction Csp3
0.52
Rotatable bonds
5
H-bond acceptors
11
H-bond donors
2
Molar refractivity
134.16
TPSA
133.83
LogP / Solubility
WLOGP
0.9
MLOGP
0.83
XLogP3
0.2
Consensus LogP
0.64
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.25
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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