CAS RN: 1898207-64-1
DS-1001b Chemical Structure
Product Availability
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12 package records9 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250308 | 5mg / 10mg / 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250921 | 100mg | Out of stock | Inquiry | |
| Batchno.20250107 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250817 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20251020 | 250mg | Out of stock | Inquiry | |
| Batchno.20251015 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260520 | 50mg | Out of stock | Inquiry | |
| Batchno.20260601 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1898207-64-1
- Purity/Analytical Methods: >99.0%
1898207-64-1 / (E)-3-[1-[5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)-1,2-oxazole-4-carbonyl]-3-methylindol-4-yl]prop-2-enoic acid;2-methylpropan-2-amine
Basic Information
CAS
1898207-64-1
Multi CAS
No
Molecular Formula
C29H29Cl3FN3O4
Molecular Weight
608.900000
Exact Mass
607.120768
SMILES
CC1=CN(C2=CC=CC(=C12)/C=C/C(=O)O)C(=O)C3=C(ON=C3C4=C(C=C(C=C4Cl)Cl)Cl)C(C)(C)F.CC(C)(C)N
InChI
InChI=1S/C25H18Cl3FN2O4.C4H11N/c1-12-11-31(17-6-4-5-13(19(12)17)7-8-18(32)33)24(34)21-22(30-35-23(21)25(2,3)29)20-15(27)9-14(26)10-16(20)28;1-4(2,3)5/h4-11H,1-3H3,(H,32,33);5H2,1-3H3/b8-7+;
InChIKey
UPPAAWQBZQBNIE-USRGLUTNSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
20
Fraction Csp3
0.28
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
158.12
TPSA
111.35
LogP / Solubility
WLOGP
8.3
MLOGP
7.35
XLogP3
8.3
Consensus LogP
7.98
Log S (ESOL)
-8.88
Class (ESOL)
Insoluble
Log S (Ali)
-10.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.11
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.54
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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