CAS RN: 210825-31-3
CP-424,174
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250812 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250602 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260117 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20260208 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250110 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251002 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS210825-31-3
- Purity/Analytical Methods: >99.0%
210825-31-3 / 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[3-(2-hydroxypropan-2-yl)phenyl]sulfonylurea
Basic Information
CAS
210825-31-3
Multi CAS
No
Molecular Formula
C22H29ClN2O4S
Molecular Weight
453.000000
Exact Mass
452.153656
SMILES
CC(C)C1=CC(=CC(=C1NC(=O)NS(=O)(=O)C2=CC=CC(=C2)C(C)(C)O)C(C)C)Cl
InChI
InChI=1S/C22H29ClN2O4S/c1-13(2)18-11-16(23)12-19(14(3)4)20(18)24-21(26)25-30(28,29)17-9-7-8-15(10-17)22(5,6)27/h7-14,27H,1-6H3,(H2,24,25,26)
InChIKey
YRSBLSHMKVQWHP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.41
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
120.66
TPSA
95.5
LogP / Solubility
WLOGP
5.32
MLOGP
4.72
XLogP3
5.2
Consensus LogP
5.08
Log S (ESOL)
-5.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.74
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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