N-Bromoacetylphenylalanine
TL;DR: N-Bromoacetylphenylalanine (CAS 41416-61-9) is a chemical compound with molecular formula C11H12BrNO3 and molecular weight 285.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(2-bromoacetyl)amino]-3-phenylpropanoic acid
Also Known As: N-Bromoacetylphenylalanine, n-(bromoacetyl)-l-phenylalanine, N-bromoacetyl-phenylalanine, L-Phenylalanine, N-(bromoacetyl)-, (2S)-2-[(2-bromoacetyl)amino]-3-phenylpropanoic acid
| Molecular Formula | C11H12BrNO3 |
|---|---|
| Molecular Weight | 285.00 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 285.00006 |
| Heavy Atoms | 16 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 41416-61-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)CBr |
| InChIKey | VTPIBSARWNWKDF-VIFPVBQESA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Bromoacetylphenylalanine (CAS 41416-61-9), with molecular formula C11H12BrNO3 and molecular weight 285.00 g/mol. IUPAC: (2S)-2-[(2-bromoacetyl)amino]-3-phenylpropanoic acid.
Chemical Property Profile of N-Bromoacetylphenylalanine
Property Insights of N-Bromoacetylphenylalanine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Bromoacetylphenylalanine. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Bromoacetylphenylalanine. Following Lipinski's Rule of Five, N-Bromoacetylphenylalanine 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
Frequently Asked Questions
What is the CAS number of N-Bromoacetylphenylalanine?
The CAS number of N-Bromoacetylphenylalanine is 41416-61-9.
What is the molecular formula of N-Bromoacetylphenylalanine?
The molecular formula of N-Bromoacetylphenylalanine is C11H12BrNO3.
What is the molecular weight of N-Bromoacetylphenylalanine?
The molecular weight of N-Bromoacetylphenylalanine is 285.00 g/mol.
Where can I buy N-Bromoacetylphenylalanine?
You can request a quote for N-Bromoacetylphenylalanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Bromoacetylphenylalanine?
Yes, KEHONG BIO provides custom synthesis services for N-Bromoacetylphenylalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.