CAS RN: 1799328-86-1
ASTX660
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260630 | 1mg / 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251216 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260619 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260225 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20260308 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260314 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260512 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260404 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1799328-86-1
- Purity/Analytical Methods: >99.0%
1799328-86-1 / 1-[6-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-5-methyl-2-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazin-1-yl]ethanone
Basic Information
CAS
1799328-86-1
Multi CAS
No
Molecular Formula
C30H42FN5O3
Molecular Weight
539.700000
Exact Mass
539.327168
SMILES
C[C@@H]1CN([C@H](CN1)CN2CCOC[C@H]2C)CC(=O)N3CC(C4=C3C=C(C(=N4)CO)CC5=CC=C(C=C5)F)(C)C
InChI
InChI=1S/C30H42FN5O3/c1-20-14-35(25(13-32-20)15-34-9-10-39-18-21(34)2)16-28(38)36-19-30(3,4)29-27(36)12-23(26(17-37)33-29)11-22-5-7-24(31)8-6-22/h5-8,12,20-21,25,32,37H,9-11,13-19H2,1-4H3/t20-,21-,25-/m1/s1
InChIKey
YCXOHEXZVKOGEV-DNRQZRRGSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
12
Fraction Csp3
0.6
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
2
Molar refractivity
149.42
TPSA
81.17
LogP / Solubility
WLOGP
2.31
MLOGP
2.07
XLogP3
2.3
Consensus LogP
2.23
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.93
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5
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