CAS RN: 252003-65-9
CP-547632
Product Availability
Choose a grade to view its available package options.
7 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251006 | 100mg | Out of stock | Inquiry | |
| Batchno.20250908 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250715 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250930 | 250mg | Out of stock | Inquiry | |
| Batchno.20251018 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250517 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260209 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS252003-65-9
- Purity/Analytical Methods: >99.0%
252003-65-9 / 3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-(4-pyrrolidin-1-ylbutylcarbamoylamino)-1,2-thiazole-4-carboxamide
Basic Information
CAS
252003-65-9
Multi CAS
No
Molecular Formula
C20H24BrF2N5O3S
Molecular Weight
532.400000
Exact Mass
531.075130
SMILES
C1CCN(C1)CCCCNC(=O)NC2=C(C(=NS2)OCC3=C(C=C(C=C3F)Br)F)C(=O)N
InChI
InChI=1S/C20H24BrF2N5O3S/c21-12-9-14(22)13(15(23)10-12)11-31-18-16(17(24)29)19(32-27-18)26-20(30)25-5-1-2-6-28-7-3-4-8-28/h9-10H,1-8,11H2,(H2,24,29)(H2,25,26,30)
InChIKey
HXHAJRMTJXHJJZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
11
Fraction Csp3
0.45
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
3
Molar refractivity
120.95
TPSA
109.58
LogP / Solubility
WLOGP
3.86
MLOGP
3.44
XLogP3
3.7
Consensus LogP
3.67
Log S (ESOL)
-5.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.71
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.52
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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