Acetyl-4-benzoyl-D-phenylalanine
TL;DR: Acetyl-4-benzoyl-D-phenylalanine (CAS 104504-42-9) is a chemical compound with molecular formula C18H17NO4 and molecular weight 311.11575 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2-acetamido-3-(4-benzoylphenyl)propanoic acid
Also Known As: Acetyl-4-benzoyl-D-phenylalanine, (2R)-2-acetamido-3-(4-benzoylphenyl)propanoic Acid, N-Acetyl-4-benzoyl-D-phenylalanine, 6080AH, (R)-2-Acetamido-3-(4-benzoylphenyl)propanoic acid
Technical Specifications
| Molecular Formula | C18H17NO4 |
| Molecular Weight | 311.11575 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 83.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.11575 Da |
| Heavy Atoms | 23 |
| Complexity | 434.0 |
| SMILES | CC(=O)N[C@H](CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)C(=O)O |
| InChIKey | WLYJTWQCNXWBRA-MRXNPFEDSA-N |
Chemical Property Profile of Acetyl-4-benzoyl-D-phenylalanine
Property Insights of Acetyl-4-benzoyl-D-phenylalanine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetyl-4-benzoyl-D-phenylalanine. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetyl-4-benzoyl-D-phenylalanine. Following Lipinski's Rule of Five, Acetyl-4-benzoyl-D-phenylalanine 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 Acetyl-4-benzoyl-D-phenylalanine?
The CAS number of Acetyl-4-benzoyl-D-phenylalanine is 104504-42-9.
What is the molecular formula of Acetyl-4-benzoyl-D-phenylalanine?
The molecular formula of Acetyl-4-benzoyl-D-phenylalanine is C18H17NO4.
What is the molecular weight of Acetyl-4-benzoyl-D-phenylalanine?
The molecular weight of Acetyl-4-benzoyl-D-phenylalanine is 311.11575 g/mol.
Where can I buy Acetyl-4-benzoyl-D-phenylalanine?
You can request a quote for Acetyl-4-benzoyl-D-phenylalanine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetyl-4-benzoyl-D-phenylalanine?
Yes, CoreyChem provides custom synthesis services for Acetyl-4-benzoyl-D-phenylalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.