![CAS 1527-17-9 2-[2-(PHENYLTHIO)PHENYL]ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1527-17-9.gif)
CAS RN: 1527-17-9
2-[2-(PHENYLTHIO)PHENYL]ACETIC ACID
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.20260430 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1527-17-9
- Purity/Analytical Methods: >99.0%
1527-17-9 / 2-(2-phenylsulfanylphenyl)acetic acid
Basic Information
CAS
1527-17-9
Multi CAS
No
Molecular Formula
C14H12O2S
Molecular Weight
244.310000
Exact Mass
244.055801
SMILES
C1=CC=C(C=C1)SC2=CC=CC=C2CC(=O)O
InChI
InChI=1S/C14H12O2S/c15-14(16)10-11-6-4-5-9-13(11)17-12-7-2-1-3-8-12/h1-9H,10H2,(H,15,16)
InChIKey
JMIYLNQBNSEKAO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
68.35
TPSA
37.3
LogP / Solubility
WLOGP
3.46
MLOGP
3.05
XLogP3
4
Consensus LogP
3.5
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.6
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.75
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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