CAS RN: 1137129-05-5
2-Bromo-5-(4-fluoro-phenyl)-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.20260611 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-013728
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
1137129-05-5 / 2-bromo-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylic acid
2-Bromo-5-(4-fluorophenyl)thiazole-4-carboxylic acid | 2-bromo-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylic acid | MFCD24038554
Basic Information
CAS
1137129-05-5
Multi CAS
No
Molecular Formula
C10H5BrFNO2S
Molecular Weight
302.120000
Exact Mass
300.920840
SMILES
C1=CC(=CC=C1C2=C(N=C(S2)Br)C(=O)O)F
InChI
InChI=1S/C10H5BrFNO2S/c11-10-13-7(9(14)15)8(16-10)5-1-3-6(12)4-2-5/h1-4H,(H,14,15)
InChIKey
MONIAIMJAYKRME-UHFFFAOYSA-N
Synonyms
2-Bromo-5-(4-fluorophenyl)thiazole-4-carboxylic acid
2-bromo-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylic acid
MFCD24038554
C10H5BrFNO2S
SCHEMBL3004677
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.17
TPSA
50.19
LogP / Solubility
WLOGP
3.41
MLOGP
3.01
XLogP3
3.6
Consensus LogP
3.34
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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