CAS RN: 2244684-49-7
Homo-PROTAC pVHL30 degrader 1
Product Availability
Choose a grade to view its available package options.
11 package records11 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260225 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250830 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260429 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250423 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250818 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260118 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2244684-49-7
- Purity/Analytical Methods: >99.0%
2244684-49-7 / (2S,4R)-4-hydroxy-1-[(2S)-2-[[2-[2-[2-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
Basic Information
CAS
2244684-49-7
Multi CAS
No
Molecular Formula
C58H82N8O14S2
Molecular Weight
1179.500000
Exact Mass
1178.539192
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@@H](C[C@H]4C(=O)NCC5=CC=C(C=C5)C6=C(N=CS6)C)O)C(C)(C)C)O
InChI
InChI=1S/C58H82N8O14S2/c1-37-49(81-35-61-37)41-13-9-39(10-14-41)29-59-53(71)45-27-43(67)31-65(45)55(73)51(57(3,4)5)63-47(69)33-79-25-23-77-21-19-75-17-18-76-20-22-78-24-26-80-34-48(70)64-52(58(6,7)8)56(74)66-32-44(68)28-46(66)54(72)60-30-40-11-15-42(16-12-40)50-38(2)62-36-82-50/h9-16,35-36,43-46,51-52,67-68H,17-34H2,1-8H3,(H,59,71)(H,60,72)(H,63,69)(H,64,70)/t43-,44-,45+,46+,51-,52-/m1/s1
InChIKey
WGJCHHJGGFCCRS-DEYDLUNASA-N
Computed Properties
Structural Parameters
Heavy atom count
82
Aromatic heavy atom count
22
Fraction Csp3
0.59
Rotatable bonds
31
H-bond acceptors
18
H-bond donors
6
Molar refractivity
308.2
TPSA
278.64
LogP / Solubility
WLOGP
3.57
MLOGP
3.26
XLogP3
3.6
Consensus LogP
3.48
Log S (ESOL)
-7.55
Class (ESOL)
Insoluble
Log S (Ali)
-11.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.01
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-7.38
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5
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