![CAS 1050506-75-6 Acetic acid, 2-[4-[[4-(2-chlorophenyl)-2-thiazolyl]methoxy]-2-methylphenoxy]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1050506-75-6.gif)
CAS RN: 1050506-75-6
Acetic acid, 2-[4-[[4-(2-chlorophenyl)-2-thiazolyl]methoxy]-2-methylphenoxy]-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260131 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1050506-75-6
- Purity/Analytical Methods: >99.0%
1050506-75-6 / 2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
GPR120 modulator 1 | 2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid | 2-(4-((4-(2-CHLOROPHENYL)THIAZOL-2-YL)METHOXY)-2-METHYLPHENOXY)ACETIC ACID
Basic Information
CAS
1050506-75-6
Multi CAS
No
Molecular Formula
C19H16ClNO4S
Molecular Weight
389.900000
Exact Mass
389.048857
SMILES
CC1=C(C=CC(=C1)OCC2=NC(=CS2)C3=CC=CC=C3Cl)OCC(=O)O
InChI
InChI=1S/C19H16ClNO4S/c1-12-8-13(6-7-17(12)25-10-19(22)23)24-9-18-21-16(11-26-18)14-4-2-3-5-15(14)20/h2-8,11H,9-10H2,1H3,(H,22,23)
InChIKey
FONSSTYHKIFEBM-UHFFFAOYSA-N
Synonyms
GPR120 modulator 1
2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
2-(4-((4-(2-CHLOROPHENYL)THIAZOL-2-YL)METHOXY)-2-METHYLPHENOXY)ACETIC ACID
GPR120-modulator-1
orb1709560
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
17
Fraction Csp3
0.16
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
1
Molar refractivity
101.2
TPSA
68.65
LogP / Solubility
WLOGP
4.81
MLOGP
4.26
XLogP3
4.7
Consensus LogP
4.59
Log S (ESOL)
-5.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.03
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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