CAS RN: 5219-64-7
Propanoic acid, 2-Methyl-2-(phenylthio)-
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.20251006 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS5219-64-7
- Purity/Analytical Methods: >99.0%
5219-64-7 / 2-methyl-2-phenylsulfanylpropanoic acid
Basic Information
CAS
5219-64-7
Multi CAS
No
Molecular Formula
C10H12O2S
Molecular Weight
196.270000
Exact Mass
196.055801
InChI
InChI=1S/C10H12O2S/c1-10(2,9(11)12)13-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,11,12)
InChIKey
UYGHXQNQIUVOES-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.01
TPSA
37.3
LogP / Solubility
WLOGP
2.64
MLOGP
2.32
XLogP3
2.6
Consensus LogP
2.52
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly 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)
-2.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 5219-81-8
- Product Code: starshine_CAS5219-81-8
- Purity/Analytical method: >99.0%
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