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Diethyl [3-(3-chlorophenoxy)propyl]propanedioate
TL;DR: Diethyl [3-(3-chlorophenoxy)propyl]propanedioate (CAS 5368-05-8) is a chemical compound with molecular formula C16H21ClO5 and molecular weight 328.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[3-(3-chlorophenoxy)propyl]propanedioate
Also Known As: diethyl [3-(3-chlorophenoxy)propyl]propanedioate, AB00083268-01, diethyl 2-[3-(3-chlorophenoxy)propyl]propanedioate
| Molecular Formula | C16H21ClO5 |
|---|---|
| Molecular Weight | 328.11 g/mol |
| LogP | 3.2414 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 328.10776 |
| Heavy Atoms | 22 |
| Complexity | 471.17944 |
Chemical Identifiers
| CAS Number | 5368-05-8 |
|---|---|
| SMILES | CCOC(=O)C(CCCOC1=CC(=CC=C1)Cl)C(=O)OCC |
Product Overview
Diethyl [3-(3-chlorophenoxy)propyl]propanedioate (CAS 5368-05-8), with molecular formula C16H21ClO5 and molecular weight 328.11 g/mol. IUPAC: diethyl 2-[3-(3-chlorophenoxy)propyl]propanedioate.
Chemical Property Profile of Diethyl [3-(3-chlorophenoxy)propyl]propanedioate
Property Insights of Diethyl [3-(3-chlorophenoxy)propyl]propanedioate
The XLogP value of 3.2414 indicates that Diethyl [3-(3-chlorophenoxy)propyl]propanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl [3-(3-chlorophenoxy)propyl]propanedioate. Following Lipinski's Rule of Five, Diethyl [3-(3-chlorophenoxy)propyl]propanedioate has 0 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 Diethyl [3-(3-chlorophenoxy)propyl]propanedioate?
The CAS number of Diethyl [3-(3-chlorophenoxy)propyl]propanedioate is 5368-05-8.
What is the molecular formula of Diethyl [3-(3-chlorophenoxy)propyl]propanedioate?
The molecular formula of Diethyl [3-(3-chlorophenoxy)propyl]propanedioate is C16H21ClO5.
What is the molecular weight of Diethyl [3-(3-chlorophenoxy)propyl]propanedioate?
The molecular weight of Diethyl [3-(3-chlorophenoxy)propyl]propanedioate is 328.11 g/mol.
Where can I buy Diethyl [3-(3-chlorophenoxy)propyl]propanedioate?
You can request a quote for Diethyl [3-(3-chlorophenoxy)propyl]propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl [3-(3-chlorophenoxy)propyl]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl [3-(3-chlorophenoxy)propyl]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.