![CAS 263270-62-8 4-[(2-METHYL-1,3-THIAZOL-4-YL)METHOXY]BENZOIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB7749744.gif)
CAS RN: 263270-62-8
4-[(2-METHYL-1,3-THIAZOL-4-YL)METHOXY]BENZOIC ACID
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260226 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS263270-62-8
- Purity/Analytical Methods: >99.0%
263270-62-8 / 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid
Basic Information
CAS
263270-62-8
Multi CAS
No
Molecular Formula
C12H11NO3S
Molecular Weight
249.290000
Exact Mass
249.045964
SMILES
CC1=NC(=CS1)COC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C12H11NO3S/c1-8-13-10(7-17-8)6-16-11-4-2-9(3-5-11)12(14)15/h2-5,7H,6H2,1H3,(H,14,15)
InChIKey
XLAHFZQELKMMMP-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
64.58
TPSA
59.42
LogP / Solubility
WLOGP
2.73
MLOGP
2.41
XLogP3
2.4
Consensus LogP
2.51
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
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)
-2.3
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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