![CAS 2320462-65-3 1(3H)-Isobenzofuranone, 5-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-(1,3,4-oxadiazol-2-yl)-2-pyrimidinyl]amino]-3,3-dimethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2320462-65-3.gif)
CAS RN: 2320462-65-3
1(3H)-Isobenzofuranone, 5-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-(1,3,4-oxadiazol-2-yl)-2-pyrimidinyl]amino]-3,3-dimethyl-
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251214 | 100mg | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
| Batchno.20250319 | 10mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250113 | 1g | Out of stock | Inquiry | |
| Batchno.20260328 | 250mg | In stock | Shenzhen, Tianjin | Inquiry |
| Batchno.20250203 | 25mg | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20250207 | 50mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250819 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2320462-65-3
- Purity/Analytical Methods: >99.0%
2320462-65-3 / 5-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]-3,3-dimethyl-2-benzofuran-1-one
Basic Information
CAS
2320462-65-3
Multi CAS
No
Molecular Formula
C24H22N6O4
Molecular Weight
458.500000
Exact Mass
458.170253
SMILES
CC1(C2=C(C=CC(=C2)NC3=NC=C(C(=N3)N[C@H](CO)C4=CC=CC=C4)C5=NN=CO5)C(=O)O1)C
InChI
InChI=1S/C24H22N6O4/c1-24(2)18-10-15(8-9-16(18)22(32)34-24)27-23-25-11-17(21-30-26-13-33-21)20(29-23)28-19(12-31)14-6-4-3-5-7-14/h3-11,13,19,31H,12H2,1-2H3,(H2,25,27,28,29)/t19-/m1/s1
InChIKey
RVSSNRBUPQUIEG-LJQANCHMSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
23
Fraction Csp3
0.21
Rotatable bonds
7
H-bond acceptors
10
H-bond donors
3
Molar refractivity
123.38
TPSA
135.29
LogP / Solubility
WLOGP
3.82
MLOGP
3.39
XLogP3
2.7
Consensus LogP
3.3
Log S (ESOL)
-5.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.65
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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