Dichloracetylmandeloylchlorid
TL;DR: Dichloracetylmandeloylchlorid (CAS 5340-45-4) is a chemical compound with molecular formula C20H27N3O5 and molecular weight 389.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-4-oxo-4-phenylbutanoic acid
Also Known As: Dichloracetylmandeloylchlorid, 2-{4-[2-(morpholin-4-yl)-2-oxoethyl]piperazin-1-yl}-4-oxo-4-phenylbutanoic acid, alpha-(Morpholinocarbonylmethyl-4 piperazino-1) beta-benzoyl propionique acide [French], 1-Piperazineacetic acid, 4-(2-(4-morpholinyl)-2-oxoethyl)-alpha-(2-oxo-2-phenylethyl)-, 4-(2-(4-Morpholinyl)-2-oxoethyl)-alpha-(2-oxo-2-phenylethyl)-1-piperazineacetic acid
| Molecular Formula | C20H27N3O5 |
|---|---|
| Molecular Weight | 389.20 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 90.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 389.19507 |
| Heavy Atoms | 28 |
| Complexity | 550.0 |
Chemical Identifiers
| CAS Number | 5340-45-4 |
|---|---|
| SMILES | C1CN(CCN1CC(=O)N2CCOCC2)C(CC(=O)C3=CC=CC=C3)C(=O)O |
| InChIKey | WTKBCMFTLFNBGR-UHFFFAOYSA-N |
Product Overview
Dichloracetylmandeloylchlorid (CAS 5340-45-4), with molecular formula C20H27N3O5 and molecular weight 389.20 g/mol. IUPAC: 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-4-oxo-4-phenylbutanoic acid.
Chemical Property Profile of Dichloracetylmandeloylchlorid
Property Insights of Dichloracetylmandeloylchlorid
The XLogP value of -2.1 indicates that Dichloracetylmandeloylchlorid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Dichloracetylmandeloylchlorid. Following Lipinski's Rule of Five, Dichloracetylmandeloylchlorid has 1 hydrogen bond donor(s) and 7 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 Dichloracetylmandeloylchlorid?
The CAS number of Dichloracetylmandeloylchlorid is 5340-45-4.
What is the molecular formula of Dichloracetylmandeloylchlorid?
The molecular formula of Dichloracetylmandeloylchlorid is C20H27N3O5.
What is the molecular weight of Dichloracetylmandeloylchlorid?
The molecular weight of Dichloracetylmandeloylchlorid is 389.20 g/mol.
Where can I buy Dichloracetylmandeloylchlorid?
You can request a quote for Dichloracetylmandeloylchlorid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dichloracetylmandeloylchlorid?
Yes, KEHONG BIO provides custom synthesis services for Dichloracetylmandeloylchlorid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.