CAS RN: 206555-77-3
4-(2-AMINO-THIAZOL-4-YL)-BENZOIC ACID METHYL ESTER
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.20260522 | 250mg / 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-097323
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: 5g, 0.1g, 1g, 0.25g, 10g, 25g
- Available purity: >97%
- Inventory rows with stock: 4
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | >97% | 3 In Stock | Shenzhen | Inquiry |
| 0.1g | >97% | 2 In Stock | Shenzhen | Inquiry |
| 1g | >97% | 2 In Stock | Shanghai | Inquiry |
| 0.25g | >97% | 1 In Stock | Shanghai | Inquiry |
| 10g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
| 25g | >97% | 0 Out of Stock | Beijing | Inquiry |
206555-77-3 / methyl 4-(2-amino-1,3-thiazol-4-yl)benzoate
Basic Information
CAS
206555-77-3
Multi CAS
No
Molecular Formula
C11H10N2O2S
Molecular Weight
234.280000
Exact Mass
234.046299
SMILES
COC(=O)C1=CC=C(C=C1)C2=CSC(=N2)N
InChI
InChI=1S/C11H10N2O2S/c1-15-10(14)8-4-2-7(3-5-8)9-6-16-11(12)13-9/h2-6H,1H3,(H2,12,13)
InChIKey
FKEIGGWJRUYGHR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
63.3
TPSA
65.21
LogP / Solubility
WLOGP
2.18
MLOGP
1.92
XLogP3
2.1
Consensus LogP
2.07
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
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)
-2.6
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: 206559-45-7
- Product Code: starshine_CAS206559-45-7
- Purity/Analytical method: >99.0%
