RefChem:327286
TL;DR: RefChem:327286 (CAS 54393-06-5) is a chemical compound with molecular formula C31H36Cl2N2O7 and molecular weight 618.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]oxyethyl-diethylazanium;2-(4-chlorophenoxy)-2-methylpropanoate
Also Known As: Benzoic acid, 4-(((4-chlorophenoxy)acetyl)amino)-, 2-(diethylamino)ethyl ester, mono(2-(4-chlorophenoxy)-2-methylpropanoate), 2-[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]oxyethyl-diethylazanium;2-(4-chlorophenoxy)-2-methylpropanoate, BENZOIC ACID, 4-(((4-CHLOROPHENOXY)ACETYL)AMINO)-, 2-(DIETHYLAMINO)ETHYL ESTER,, 2-({4-[2-(4-Chlorophenoxy)acetamido]benzoyl}oxy)-N,N-diethylethan-1-aminium 2-(4-chlorophenoxy)-2-methylpropanoate, 2-[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]oxyethyl-diethylazanium; 2-(4-chlorophenoxy)-2-methylpropanoate
| Molecular Formula | C31H36Cl2N2O7 |
|---|---|
| Molecular Weight | 618.19 g/mol |
| LogP | 3.69 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 618.18994 |
| Heavy Atoms | 42 |
| Complexity | 673.0 |
Chemical Identifiers
| CAS Number | 54393-06-5 |
|---|---|
| SMILES | CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)Cl.CC(C)(C(=O)[O-])OC1=CC=C(C=C1)Cl |
| InChIKey | ACHHSSUSDXOVAI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:327286 (CAS 54393-06-5), with molecular formula C31H36Cl2N2O7 and molecular weight 618.19 g/mol. IUPAC: 2-[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]oxyethyl-diethylazanium;2-(4-chlorophenoxy)-2-methylpropanoate.
Chemical Property Profile of RefChem:327286
Property Insights of RefChem:327286
The XLogP value of 3.69 indicates that RefChem:327286 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:327286. Following Lipinski's Rule of Five, RefChem:327286 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:327286?
The CAS number of RefChem:327286 is 54393-06-5.
What is the molecular formula of RefChem:327286?
The molecular formula of RefChem:327286 is C31H36Cl2N2O7.
What is the molecular weight of RefChem:327286?
The molecular weight of RefChem:327286 is 618.19 g/mol.
Where can I buy RefChem:327286?
You can request a quote for RefChem:327286 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327286?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327286 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.