Methyl 2,6-dichlorophenylacetate
TL;DR: Methyl 2,6-dichlorophenylacetate (CAS 54551-83-6) is a chemical compound with molecular formula C9H8Cl2O2 and molecular weight 217.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2,6-dichlorophenyl)acetate
Also Known As: Methyl 2,6-dichlorophenylacetate, methyl 2-(2,6-dichlorophenyl)acetate, 2,6-Dichlorophenylacetic Acid Methyl Ester, Guanfacine Methyl Ester Impurity, Methyl (2,6-Dichlorophenyl)acetate
| Molecular Formula | C9H8Cl2O2 |
|---|---|
| Molecular Weight | 217.99 g/mol |
| LogP | 2.7089 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.99013 |
| Heavy Atoms | 13 |
| Complexity | 303.14078 |
Chemical Identifiers
| CAS Number | 54551-83-6 |
|---|---|
| SMILES | COC(=O)CC1=C(C=CC=C1Cl)Cl |
Product Overview
Methyl 2,6-dichlorophenylacetate (CAS 54551-83-6), with molecular formula C9H8Cl2O2 and molecular weight 217.99 g/mol. IUPAC: methyl 2-(2,6-dichlorophenyl)acetate.
Chemical Property Profile of Methyl 2,6-dichlorophenylacetate
Property Insights of Methyl 2,6-dichlorophenylacetate
The XLogP value of 2.7089 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,6-dichlorophenylacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2,6-dichlorophenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,6-dichlorophenylacetate has 0 hydrogen bond donor(s) and 2 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 Methyl 2,6-dichlorophenylacetate?
The CAS number of Methyl 2,6-dichlorophenylacetate is 54551-83-6.
What is the molecular formula of Methyl 2,6-dichlorophenylacetate?
The molecular formula of Methyl 2,6-dichlorophenylacetate is C9H8Cl2O2.
What is the molecular weight of Methyl 2,6-dichlorophenylacetate?
The molecular weight of Methyl 2,6-dichlorophenylacetate is 217.99 g/mol.
Where can I buy Methyl 2,6-dichlorophenylacetate?
You can request a quote for Methyl 2,6-dichlorophenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,6-dichlorophenylacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,6-dichlorophenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.