CAS RN: 524746-03-0
Caspase-9 Inhibitor
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250415 | 2mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS524746-03-0
- Purity/Analytical Methods: >99.0%
524746-03-0 / methyl (4S)-5-[[(2S)-1-[[(3S)-5-fluoro-1-methoxy-1,4-dioxopentan-3-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoate;2,2,2-trifluoroacetic acid
Basic Information
CAS
524746-03-0
Multi CAS
Yes
Molecular Formula
C34F4H44N6O12
Molecular Weight
804.700000
Exact Mass
804.295334
InChI
InChI=1S/C32H43FN6O10.C2HF3O2/c1-19(2)12-24(39-32(46)49-17-20-8-6-5-7-9-20)30(44)36-22(10-11-27(41)47-3)29(43)38-25(13-21-16-34-18-35-21)31(45)37-23(26(40)15-33)14-28(42)48-4;3-2(4,5)1(6)7/h5-9,16,18-19,22-25H,10-15,17H2,1-4H3,(H,34,35)(H,36,44)(H,37,45)(H,38,43)(H,39,46);(H,6,7)/t22-,23-,24-,25-;/m0./s1
InChIKey
XCKBDLPYFKIMOO-NATPOTRJSA-N
Computed Properties
Structural Parameters
Heavy atom count
56
Aromatic heavy atom count
11
Fraction Csp3
0.5
Rotatable bonds
20
H-bond acceptors
12
H-bond donors
6
Molar refractivity
183.65
TPSA
261.28
LogP / Solubility
WLOGP
1.44
MLOGP
1.34
XLogP3
1.44
Consensus LogP
1.41
Log S (ESOL)
-4.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.48
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.61
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
6
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