CAS RN: 477872-94-9
2-(4-METHOXYBENZYL)-1,3-THIAZOLE-4-CARBOXYLIC 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.20260221 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-154728
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
477872-94-9 / 2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid
Basic Information
CAS
477872-94-9
Multi CAS
Yes
Molecular Formula
C12H11NO3S
Molecular Weight
249.290000
Exact Mass
249.045964
InChI
InChI=1S/C12H11NO3S/c1-16-9-4-2-8(3-5-9)6-11-13-10(7-17-11)12(14)15/h2-5,7H,6H2,1H3,(H,14,15)
InChIKey
IKMRIOWUVVRGDM-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
64.87
TPSA
59.42
LogP / Solubility
WLOGP
2.44
MLOGP
2.15
XLogP3
2.7
Consensus LogP
2.43
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)
-2.51
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 477874-92-3 4-chlorothieno[2,3-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/477874-92-3.gif)
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