CAS RN: 566914-00-9
IL-1R Antagonist
Product Availability
Choose a grade to view its available package options.
8 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260611 | 5mg / 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260415 | 100mg | Out of stock | Inquiry | ||
| Batchno.20260313 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250813 | 1g | Out of stock | Inquiry | ||
| Batchno.20251230 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250130 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260407 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20251108 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS566914-00-9
- Purity/Analytical Methods: >99.0%
566914-00-9 / N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-phenylpropanamide
Basic Information
CAS
566914-00-9
Multi CAS
Yes
Molecular Formula
C18H26N2O2
Molecular Weight
302.400000
Exact Mass
302.199428
InChI
InChI=1S/C18H26N2O2/c1-14(2)17(18(22)20-12-6-7-13-20)19-16(21)11-10-15-8-4-3-5-9-15/h3-5,8-9,14,17H,6-7,10-13H2,1-2H3,(H,19,21)/t17-/m0/s1
InChIKey
DAZSWUUAFHBCGE-KRWDZBQOSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
87.35
TPSA
49.41
LogP / Solubility
WLOGP
2.38
MLOGP
2.11
XLogP3
2.8
Consensus LogP
2.43
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.32
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
Customers Also Viewed
-
-
1,3-DibroMo-5-hexyl-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione
- CAS RN: 566939-56-8
- Product Code: starshine_CAS566939-56-8
- Purity/Analytical method: >99.0%
-
6-[(7S)-7-Hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl]-N-methyl-2-naphthalenecarboxamide
- CAS RN: 566939-85-3
- Product Code: starshine_CAS566939-85-3
- Purity/Analytical method: >99.0%
-
-
-
4-chloro-2-hydroxy-N-methoxy-N-methylbenzamide
- CAS RN: 566945-71-9
- Product Code: starshine_CAS566945-71-9
- Purity/Analytical method: >99.0%
![CAS 566939-56-8 1,3-DibroMo-5-hexyl-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/566939-56-8.gif)
![CAS 566939-85-3 6-[(7S)-7-Hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl]-N-methyl-2-naphthalenecarboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/566939-85-3.gif)
