CAS RN: 67086-82-2
2-(4-methylphenyl)-1,3-thiazolane
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.20250225 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS67086-82-2
- Purity/Analytical Methods: >99.0%
67086-82-2 / 2-(4-methylphenyl)-1,3-thiazolidine
Basic Information
CAS
67086-82-2
Multi CAS
No
Molecular Formula
C10H13NS
Molecular Weight
179.280000
Exact Mass
179.076871
InChI
InChI=1S/C10H13NS/c1-8-2-4-9(5-3-8)10-11-6-7-12-10/h2-5,10-11H,6-7H2,1H3
InChIKey
NLKGQUAQKCOAHV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.38
TPSA
12.03
LogP / Solubility
WLOGP
2.33
MLOGP
2.05
XLogP3
1.8
Consensus LogP
2.06
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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