CAS RN: 1415251-36-3
WJ460
Product Availability
Choose a grade to view its available package options.
5 package records1 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260218 | 10mg / 50mg / 100mg | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS1415251-36-3
- Purity/Analytical Methods: >99.0%
1415251-36-3 / 3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(4-phenylbutyl)benzamide
Basic Information
CAS
1415251-36-3
Multi CAS
No
Molecular Formula
C27H28N2O3S
Molecular Weight
460.600000
Exact Mass
460.182064
SMILES
COC1=CC=CC=C1N2C(SCC2=O)C3=CC(=CC=C3)C(=O)NCCCCC4=CC=CC=C4
InChI
InChI=1S/C27H28N2O3S/c1-32-24-16-6-5-15-23(24)29-25(30)19-33-27(29)22-14-9-13-21(18-22)26(31)28-17-8-7-12-20-10-3-2-4-11-20/h2-6,9-11,13-16,18,27H,7-8,12,17,19H2,1H3,(H,28,31)
InChIKey
BOSNKHFAOWELSW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
18
Fraction Csp3
0.26
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
133.83
TPSA
58.64
LogP / Solubility
WLOGP
5.23
MLOGP
4.63
XLogP3
5.3
Consensus LogP
5.05
Log S (ESOL)
-5.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.07
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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