![2-[(2-Bromophenyl)formamido]-4-(methylsulfanyl)butanoic acid structure](/static/products/1396/1396971-17-7.webp)
2-[(2-Bromophenyl)formamido]-4-(methylsulfanyl)butanoic acid
TL;DR: 2-[(2-Bromophenyl)formamido]-4-(methylsulfanyl)butanoic acid (CAS 1396971-17-7) is a chemical compound with molecular formula C12H14BrNO3S and molecular weight 330.9878 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2-bromobenzoyl)amino]-4-methylsulfanylbutanoic acid
Also Known As: 2-[(2-bromophenyl)formamido]-4-(methylsulfanyl)butanoic acid, 2-[(2-bromobenzoyl)amino]-4-(methylthio)butanoic acid, 2-[(2-bromobenzoyl)amino]-4-methylsulfanylbutanoic acid, 2-[(2-bromobenzoyl)amino]-4-methylsulfanyl-butanoic Acid, 2-[(2-bromophenyl)formamido]-4-(methylsulfanyl)butanoicacid
Technical Specifications
| Molecular Formula | C12H14BrNO3S |
| Molecular Weight | 330.9878 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 330.9878 Da |
| Heavy Atoms | 18 |
| Complexity | 301.0 |
| SMILES | CSCCC(C(=O)O)NC(=O)C1=CC=CC=C1Br |
| InChIKey | KQLXHMZMXYSHIG-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(2-Bromophenyl)formamido]-4-(methylsulfanyl)butanoic acid
Property Insights of 2-[(2-Bromophenyl)formamido]-4-(methylsulfanyl)butanoic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-Bromophenyl)formamido]-4-(methylsulfanyl)butanoic acid. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Bromophenyl)formamido]-4-(methylsulfanyl)butanoic acid. Following Lipinski's Rule of Five, 2-[(2-Bromophenyl)formamido]-4-(methylsulfanyl)butanoic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-[(2-Bromophenyl)formamido]-4-(methylsulfanyl)butanoic acid?
The CAS number of 2-[(2-Bromophenyl)formamido]-4-(methylsulfanyl)butanoic acid is 1396971-17-7.
What is the molecular formula of 2-[(2-Bromophenyl)formamido]-4-(methylsulfanyl)butanoic acid?
The molecular formula of 2-[(2-Bromophenyl)formamido]-4-(methylsulfanyl)butanoic acid is C12H14BrNO3S.
What is the molecular weight of 2-[(2-Bromophenyl)formamido]-4-(methylsulfanyl)butanoic acid?
The molecular weight of 2-[(2-Bromophenyl)formamido]-4-(methylsulfanyl)butanoic acid is 330.9878 g/mol.
Where can I buy 2-[(2-Bromophenyl)formamido]-4-(methylsulfanyl)butanoic acid?
You can request a quote for 2-[(2-Bromophenyl)formamido]-4-(methylsulfanyl)butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(2-Bromophenyl)formamido]-4-(methylsulfanyl)butanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-[(2-Bromophenyl)formamido]-4-(methylsulfanyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.