CAS RN: 217480-26-7
L-803,087 TRIFLUOROACETATE
Product Availability
Choose a grade to view its available package options.
7 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250226 | 1mg / 10mg / 25mg | Out of stock | 15 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260222 | 100mg | Out of stock | Inquiry | ||
| Batchno.20260210 | 10mg | Out of stock | Inquiry | ||
| Batchno.20260403 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250811 | 25mg | Out of stock | Inquiry | ||
| Batchno.20251013 | 50mg | Out of stock | Inquiry | ||
| Batchno.20250812 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS217480-26-7
- Purity/Analytical Methods: >99.0%
217480-26-7 / methyl (2S)-5-(diaminomethylideneamino)-2-[4-(5,7-difluoro-2-phenyl-1H-indol-3-yl)butanoylamino]pentanoate
Basic Information
CAS
217480-26-7
Multi CAS
No
Molecular Formula
C25H29F2N5O3
Molecular Weight
485.500000
Exact Mass
485.223846
SMILES
COC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCC1=C(NC2=C1C=C(C=C2F)F)C3=CC=CC=C3
InChI
InChI=1S/C25H29F2N5O3/c1-35-24(34)20(10-6-12-30-25(28)29)31-21(33)11-5-9-17-18-13-16(26)14-19(27)23(18)32-22(17)15-7-3-2-4-8-15/h2-4,7-8,13-14,20,32H,5-6,9-12H2,1H3,(H,31,33)(H4,28,29,30)/t20-/m0/s1
InChIKey
OPNMQSFIGUSHDH-FQEVSTJZSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
15
Fraction Csp3
0.32
Rotatable bonds
11
H-bond acceptors
4
H-bond donors
4
Molar refractivity
130.45
TPSA
135.59
LogP / Solubility
WLOGP
3.15
MLOGP
2.8
XLogP3
2.9
Consensus LogP
2.95
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.75
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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