CAS RN: 209984-57-6
LY411575
Product Availability
Choose a grade to view its available package options.
9 package records9 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260110 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260526 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260603 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250618 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250429 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251126 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260314 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20251019 | 5mg | In stock | Shanghai | Inquiry |
| Batchno.20251027 | 5mg | In stock | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS209984-57-6
- Purity/Analytical Methods: >99.0%
209984-57-6 / (2S)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-[(7S)-5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl]propanamide
Basic Information
CAS
209984-57-6
Multi CAS
No
Molecular Formula
C26H23F2N3O4
Molecular Weight
479.500000
Exact Mass
479.165663
SMILES
C[C@@H](C(=O)N[C@H]1C2=CC=CC=C2C3=CC=CC=C3N(C1=O)C)NC(=O)[C@H](C4=CC(=CC(=C4)F)F)O
InChI
InChI=1S/C26H23F2N3O4/c1-14(29-25(34)23(32)15-11-16(27)13-17(28)12-15)24(33)30-22-20-9-4-3-7-18(20)19-8-5-6-10-21(19)31(2)26(22)35/h3-14,22-23,32H,1-2H3,(H,29,34)(H,30,33)/t14-,22-,23-/m0/s1
InChIKey
ULSSJYNJIZWPSB-CVRXJBIPSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
18
Fraction Csp3
0.19
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
125.09
TPSA
98.74
LogP / Solubility
WLOGP
3
MLOGP
2.68
XLogP3
3
Consensus LogP
2.89
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.87
Class (SILICOS-IT)
Slightly soluble
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)
-3.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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