Dimethyl 2-(4-chlorophenoxy)malonate
TL;DR: Dimethyl 2-(4-chlorophenoxy)malonate (CAS 338400-09-2) is a chemical compound with molecular formula C11H11ClO5 and molecular weight 258.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(4-chlorophenoxy)propanedioate
Also Known As: dimethyl 2-(4-chlorophenoxy)malonate, dimethylchlorophenoxymalonate, 1,3-dimethyl 2-(4-chlorophenoxy)propanedioate, dimethyl 2-(4-chlorophenoxy)propanedioate, dimethyl2-(4-chlorophenoxy)malonate
| Molecular Formula | C11H11ClO5 |
|---|---|
| Molecular Weight | 258.03 g/mol |
| LogP | 1.4334 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.0295 |
| Heavy Atoms | 17 |
| Complexity | 384.82776 |
Chemical Identifiers
| CAS Number | 338400-09-2 |
|---|---|
| SMILES | COC(=O)C(C(=O)OC)OC1=CC=C(C=C1)Cl |
Product Overview
Dimethyl 2-(4-chlorophenoxy)malonate (CAS 338400-09-2), with molecular formula C11H11ClO5 and molecular weight 258.03 g/mol. IUPAC: dimethyl 2-(4-chlorophenoxy)propanedioate.
Chemical Property Profile of Dimethyl 2-(4-chlorophenoxy)malonate
Property Insights of Dimethyl 2-(4-chlorophenoxy)malonate
The XLogP value of 1.4334 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-(4-chlorophenoxy)malonate. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-(4-chlorophenoxy)malonate. Following Lipinski's Rule of Five, Dimethyl 2-(4-chlorophenoxy)malonate 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 Dimethyl 2-(4-chlorophenoxy)malonate?
The CAS number of Dimethyl 2-(4-chlorophenoxy)malonate is 338400-09-2.
What is the molecular formula of Dimethyl 2-(4-chlorophenoxy)malonate?
The molecular formula of Dimethyl 2-(4-chlorophenoxy)malonate is C11H11ClO5.
What is the molecular weight of Dimethyl 2-(4-chlorophenoxy)malonate?
The molecular weight of Dimethyl 2-(4-chlorophenoxy)malonate is 258.03 g/mol.
Where can I buy Dimethyl 2-(4-chlorophenoxy)malonate?
You can request a quote for Dimethyl 2-(4-chlorophenoxy)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-(4-chlorophenoxy)malonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-(4-chlorophenoxy)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.