CAS RN: 1881233-39-1
PI4KIII beta inhibitor 1
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251002 | 1mg / 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260312 | 100mg | In stock | Shenzhen | Inquiry | |
| Batchno.20250321 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260228 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20251126 | 250mg | Out of stock | Inquiry | ||
| Batchno.20250522 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250618 | 50mg | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20251020 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1881233-39-1
- Purity/Analytical Methods: >99.0%
1881233-39-1 / N-[5-[3-[(4-hydroxyphenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
Basic Information
CAS
1881233-39-1
Multi CAS
No
Molecular Formula
C22H25N3O5S2
Molecular Weight
475.600000
Exact Mass
475.123563
SMILES
CC1=C(SC(=N1)NC(=O)C(C)(C)C)C2=CC(=C(C=C2)OC)S(=O)(=O)NC3=CC=C(C=C3)O
InChI
InChI=1S/C22H25N3O5S2/c1-13-19(31-21(23-13)24-20(27)22(2,3)4)14-6-11-17(30-5)18(12-14)32(28,29)25-15-7-9-16(26)10-8-15/h6-12,25-26H,1-5H3,(H,23,24,27)
InChIKey
PLUYFBRIGUAKBR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
17
Fraction Csp3
0.27
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
3
Molar refractivity
125.84
TPSA
117.62
LogP / Solubility
WLOGP
4.62
MLOGP
4.1
XLogP3
4.1
Consensus LogP
4.27
Log S (ESOL)
-5.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.3
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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