![CAS 23353-14-2 2-[2-(4-METHOXYPHENYL)-1,3-THIAZOL-4-YL]ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/23353-14-2.gif)
CAS RN: 23353-14-2
2-[2-(4-METHOXYPHENYL)-1,3-THIAZOL-4-YL]ACETIC ACID
- Product code: SSC-113073
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
23353-14-2 / 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
Basic Information
CAS
23353-14-2
Multi CAS
No
Molecular Formula
C12H11NO3S
Molecular Weight
249.290000
Exact Mass
249.045964
SMILES
COC1=CC=C(C=C1)C2=NC(=CS2)CC(=O)O
InChI
InChI=1S/C12H11NO3S/c1-16-10-4-2-8(3-5-10)12-13-9(7-17-12)6-11(14)15/h2-5,7H,6H2,1H3,(H,14,15)
InChIKey
HWRQFRXTBPYUEK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
65.44
TPSA
59.42
LogP / Solubility
WLOGP
2.45
MLOGP
2.16
XLogP3
2.1
Consensus LogP
2.24
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
Class (SILICOS-IT)
Poorly 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)
-2.5
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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- CAS RN: 23358-64-7
- Product Code: starshine_CAS23358-64-7
- Purity/Analytical method: >99.0%
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