threo-N-(Dichloroacetyl)-beta-((dichloroacetyl)oxy)-DL-phenylalanine ethyl ester
TL;DR: threo-N-(Dichloroacetyl)-beta-((dichloroacetyl)oxy)-DL-phenylalanine ethyl ester (CAS 61462-93-9) is a chemical compound with molecular formula C15H15Cl4NO5 and molecular weight 428.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2R)-2-[(2,2-dichloroacetyl)amino]-3-(2,2-dichloroacetyl)oxy-3-phenylpropanoate
Also Known As: BAS 00535371, threo-N-(Dichloroacetyl)-beta-((dichloroacetyl)oxy)-DL-phenylalanine ethyl ester, DL-Phenylalanine, N-(dichloroacetyl)-beta-((dichloroacetyl)oxy)-, ethyl ester, threo-, ethyl (2R)-2-[(2,2-dichloroacetyl)amino]-3-(2,2-dichloroacetyl)oxy-3-phenylpropanoate
| Molecular Formula | C15H15Cl4NO5 |
|---|---|
| Molecular Weight | 428.97 g/mol |
| LogP | 2.9262 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 428.97043 |
| Heavy Atoms | 25 |
| Complexity | 596.8443 |
Chemical Identifiers
| CAS Number | 61462-93-9 |
|---|---|
| SMILES | CCOC(=O)[C@@H](C(C1=CC=CC=C1)OC(=O)C(Cl)Cl)NC(=O)C(Cl)Cl |
Product Overview
threo-N-(Dichloroacetyl)-beta-((dichloroacetyl)oxy)-DL-phenylalanine ethyl ester (CAS 61462-93-9), with molecular formula C15H15Cl4NO5 and molecular weight 428.97 g/mol. IUPAC: ethyl (2R)-2-[(2,2-dichloroacetyl)amino]-3-(2,2-dichloroacetyl)oxy-3-phenylpropanoate.
Chemical Property Profile of threo-N-(Dichloroacetyl)-beta-((dichloroacetyl)oxy)-DL-phenylalanine ethyl ester
Property Insights of threo-N-(Dichloroacetyl)-beta-((dichloroacetyl)oxy)-DL-phenylalanine ethyl ester
The XLogP value of 2.9262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for threo-N-(Dichloroacetyl)-beta-((dichloroacetyl)oxy)-DL-phenylalanine ethyl ester. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for threo-N-(Dichloroacetyl)-beta-((dichloroacetyl)oxy)-DL-phenylalanine ethyl ester. Following Lipinski's Rule of Five, threo-N-(Dichloroacetyl)-beta-((dichloroacetyl)oxy)-DL-phenylalanine ethyl ester has 1 hydrogen bond donor(s) and 5 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 threo-N-(Dichloroacetyl)-beta-((dichloroacetyl)oxy)-DL-phenylalanine ethyl ester?
The CAS number of threo-N-(Dichloroacetyl)-beta-((dichloroacetyl)oxy)-DL-phenylalanine ethyl ester is 61462-93-9.
What is the molecular formula of threo-N-(Dichloroacetyl)-beta-((dichloroacetyl)oxy)-DL-phenylalanine ethyl ester?
The molecular formula of threo-N-(Dichloroacetyl)-beta-((dichloroacetyl)oxy)-DL-phenylalanine ethyl ester is C15H15Cl4NO5.
What is the molecular weight of threo-N-(Dichloroacetyl)-beta-((dichloroacetyl)oxy)-DL-phenylalanine ethyl ester?
The molecular weight of threo-N-(Dichloroacetyl)-beta-((dichloroacetyl)oxy)-DL-phenylalanine ethyl ester is 428.97 g/mol.
Where can I buy threo-N-(Dichloroacetyl)-beta-((dichloroacetyl)oxy)-DL-phenylalanine ethyl ester?
You can request a quote for threo-N-(Dichloroacetyl)-beta-((dichloroacetyl)oxy)-DL-phenylalanine ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for threo-N-(Dichloroacetyl)-beta-((dichloroacetyl)oxy)-DL-phenylalanine ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for threo-N-(Dichloroacetyl)-beta-((dichloroacetyl)oxy)-DL-phenylalanine ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.