![3-Bromonaphtho[1,2-b]thiophene-2-carboxylic acid structure](/static/products/145/145429-96-5.webp)
3-Bromonaphtho[1,2-b]thiophene-2-carboxylic acid
TL;DR: 3-Bromonaphtho[1,2-b]thiophene-2-carboxylic acid (CAS 145429-96-5) is a chemical compound with molecular formula C13H7BrO2S and molecular weight 305.935 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-bromobenzo[g][1]benzothiole-2-carboxylic acid
Also Known As: BAS 00383108, 3-bromonaphtho[1,2-b]thiophene-2-carboxylic acid, 3-bromobenzo[g][1]benzothiole-2-carboxylic acid, AF-399/32023001, 3-Bromo-naphtho[1,2-b]thiophene-2-carboxylic acid
Technical Specifications
| Molecular Formula | C13H7BrO2S |
| Molecular Weight | 305.935 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 305.935 Da |
| Heavy Atoms | 17 |
| Complexity | 323.0 |
| SMILES | C1=CC=C2C(=C1)C=CC3=C2SC(=C3Br)C(=O)O |
| InChIKey | HTZCNUXCLQFXMP-UHFFFAOYSA-N |
Chemical Property Profile of 3-Bromonaphtho[1,2-b]thiophene-2-carboxylic acid
Property Insights of 3-Bromonaphtho[1,2-b]thiophene-2-carboxylic acid
The XLogP value of 4.7 indicates that 3-Bromonaphtho[1,2-b]thiophene-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Bromonaphtho[1,2-b]thiophene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-Bromonaphtho[1,2-b]thiophene-2-carboxylic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Bromonaphtho[1,2-b]thiophene-2-carboxylic acid?
The CAS number of 3-Bromonaphtho[1,2-b]thiophene-2-carboxylic acid is 145429-96-5.
What is the molecular formula of 3-Bromonaphtho[1,2-b]thiophene-2-carboxylic acid?
The molecular formula of 3-Bromonaphtho[1,2-b]thiophene-2-carboxylic acid is C13H7BrO2S.
What is the molecular weight of 3-Bromonaphtho[1,2-b]thiophene-2-carboxylic acid?
The molecular weight of 3-Bromonaphtho[1,2-b]thiophene-2-carboxylic acid is 305.935 g/mol.
Where can I buy 3-Bromonaphtho[1,2-b]thiophene-2-carboxylic acid?
You can request a quote for 3-Bromonaphtho[1,2-b]thiophene-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Bromonaphtho[1,2-b]thiophene-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 3-Bromonaphtho[1,2-b]thiophene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.