N-dichloroacetyl-DL-phenylalanine
TL;DR: N-dichloroacetyl-DL-phenylalanine (CAS 21231-79-8) is a chemical compound with molecular formula C11H11Cl2NO3 and molecular weight 275.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,2-dichloroacetyl)amino]-3-phenylpropanoic acid
Also Known As: n-(dichloroacetyl)phenylalanine, N-dichloroacetyl-phenylalanine, DL-Phenylalanine, N-(dichloroacetyl)-, N-Dichloroacetyl-DL-phenylalanine, 2-[(2,2-dichloroacetyl)amino]-3-phenylpropanoic acid
| Molecular Formula | C11H11Cl2NO3 |
|---|---|
| Molecular Weight | 275.01 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.0116 |
| Heavy Atoms | 17 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 21231-79-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(Cl)Cl |
| InChIKey | DQUUPSCLZCPYKD-UHFFFAOYSA-N |
Product Overview
N-dichloroacetyl-DL-phenylalanine (CAS 21231-79-8), with molecular formula C11H11Cl2NO3 and molecular weight 275.01 g/mol. IUPAC: 2-[(2,2-dichloroacetyl)amino]-3-phenylpropanoic acid.
Chemical Property Profile of N-dichloroacetyl-DL-phenylalanine
Property Insights of N-dichloroacetyl-DL-phenylalanine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-dichloroacetyl-DL-phenylalanine. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-dichloroacetyl-DL-phenylalanine. Following Lipinski's Rule of Five, N-dichloroacetyl-DL-phenylalanine 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-dichloroacetyl-DL-phenylalanine?
The CAS number of N-dichloroacetyl-DL-phenylalanine is 21231-79-8.
What is the molecular formula of N-dichloroacetyl-DL-phenylalanine?
The molecular formula of N-dichloroacetyl-DL-phenylalanine is C11H11Cl2NO3.
What is the molecular weight of N-dichloroacetyl-DL-phenylalanine?
The molecular weight of N-dichloroacetyl-DL-phenylalanine is 275.01 g/mol.
Where can I buy N-dichloroacetyl-DL-phenylalanine?
You can request a quote for N-dichloroacetyl-DL-phenylalanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-dichloroacetyl-DL-phenylalanine?
Yes, KEHONG BIO provides custom synthesis services for N-dichloroacetyl-DL-phenylalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.