CAS RN: 2227-61-4
4-Phenyl-2-(p-tolyl)thiazole
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.20250513 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2227-61-4
- Purity/Analytical Methods: >99.0%
2227-61-4 / 2-(4-methylphenyl)-4-phenyl-1,3-thiazole
Basic Information
CAS
2227-61-4
Multi CAS
No
Molecular Formula
C16H13NS
Molecular Weight
251.300000
Exact Mass
251.076871
SMILES
CC1=CC=C(C=C1)C2=NC(=CS2)C3=CC=CC=C3
InChI
InChI=1S/C16H13NS/c1-12-7-9-14(10-8-12)16-17-15(11-18-16)13-5-3-2-4-6-13/h2-11H,1H3
InChIKey
HJOFTDPFWFTGNO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
17
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
77.72
TPSA
12.89
LogP / Solubility
WLOGP
4.79
MLOGP
4.22
XLogP3
4.6
Consensus LogP
4.54
Log S (ESOL)
-4.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.51
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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