2-((4-Bromophenyl)formamido)-3-methylbutanoic acid
TL;DR: 2-((4-Bromophenyl)formamido)-3-methylbutanoic acid (CAS 1396964-71-8) is a chemical compound with molecular formula C12H14BrNO3 and molecular weight 299.01572 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-bromobenzoyl)amino]-3-methylbutanoic acid
Also Known As: 2-[(4-bromobenzoyl)amino]-3-methylbutanoic acid, N-(4-bromobenzoyl)valine, 2-[(4-bromophenyl)formamido]-3-methylbutanoic acid, N-[(4-bromophenyl)carbonyl]valine, 2-[(4-bromobenzoyl)amino]-3-methyl-butanoic Acid
Technical Specifications
| Molecular Formula | C12H14BrNO3 |
| Molecular Weight | 299.01572 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.01572 Da |
| Heavy Atoms | 17 |
| Complexity | 285.0 |
| SMILES | CC(C)C(C(=O)O)NC(=O)C1=CC=C(C=C1)Br |
| InChIKey | OKXWQUBUQJAUNF-UHFFFAOYSA-N |
Chemical Property Profile of 2-((4-Bromophenyl)formamido)-3-methylbutanoic acid
Property Insights of 2-((4-Bromophenyl)formamido)-3-methylbutanoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-Bromophenyl)formamido)-3-methylbutanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-Bromophenyl)formamido)-3-methylbutanoic acid. Following Lipinski's Rule of Five, 2-((4-Bromophenyl)formamido)-3-methylbutanoic acid has 2 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 2-((4-Bromophenyl)formamido)-3-methylbutanoic acid?
The CAS number of 2-((4-Bromophenyl)formamido)-3-methylbutanoic acid is 1396964-71-8.
What is the molecular formula of 2-((4-Bromophenyl)formamido)-3-methylbutanoic acid?
The molecular formula of 2-((4-Bromophenyl)formamido)-3-methylbutanoic acid is C12H14BrNO3.
What is the molecular weight of 2-((4-Bromophenyl)formamido)-3-methylbutanoic acid?
The molecular weight of 2-((4-Bromophenyl)formamido)-3-methylbutanoic acid is 299.01572 g/mol.
Where can I buy 2-((4-Bromophenyl)formamido)-3-methylbutanoic acid?
You can request a quote for 2-((4-Bromophenyl)formamido)-3-methylbutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((4-Bromophenyl)formamido)-3-methylbutanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-((4-Bromophenyl)formamido)-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.