CAS RN: 1794760-28-3
IWSFHSVGBKPYFN-UHFFFAOYSA-N
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250401 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1794760-28-3
- Purity/Analytical Methods: >99.0%
1794760-28-3 / 3-(4-methylphenyl)-5-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazole;oxalic acid
Basic Information
CAS
1794760-28-3
Multi CAS
No
Molecular Formula
C20H24N2O5
Molecular Weight
372.400000
Exact Mass
372.168522
SMILES
CCCN1CCC=C(C1)C2=CC(=NO2)C3=CC=C(C=C3)C.C(=O)(C(=O)O)O
InChI
InChI=1S/C18H22N2O.C2H2O4/c1-3-10-20-11-4-5-16(13-20)18-12-17(19-21-18)15-8-6-14(2)7-9-15;3-1(4)2(5)6/h5-9,12H,3-4,10-11,13H2,1-2H3;(H,3,4)(H,5,6)
InChIKey
IWSFHSVGBKPYFN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
11
Fraction Csp3
0.35
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
101.27
TPSA
103.87
LogP / Solubility
WLOGP
3.3
MLOGP
2.93
XLogP3
3.3
Consensus LogP
3.18
Log S (ESOL)
-4.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.3
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)
-2.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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