Methyl dichloroasterrate
TL;DR: Methyl dichloroasterrate (CAS 398118-62-2) is a chemical compound with molecular formula C18H16Cl2O8 and molecular weight 430.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,5-dichloro-2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate
Also Known As: Methyl dichloroasterrate, $:00in-source, metyl dichloroasterrate, Geodinhydrat-methylester, Methyl 2,4-dichloroasterrate
| Molecular Formula | C18H16Cl2O8 |
|---|---|
| Molecular Weight | 430.02 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 430.02222 |
| Heavy Atoms | 28 |
| Complexity | 562.0 |
Chemical Identifiers
| CAS Number | 398118-62-2 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1Cl)OC2=C(C=C(C=C2OC)O)C(=O)OC)C(=O)OC)O)Cl |
| InChIKey | UWTOESDPWKUNBD-UHFFFAOYSA-N |
Product Overview
Methyl dichloroasterrate (CAS 398118-62-2), with molecular formula C18H16Cl2O8 and molecular weight 430.02 g/mol. IUPAC: methyl 3,5-dichloro-2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate.
Chemical Property Profile of Methyl dichloroasterrate
Property Insights of Methyl dichloroasterrate
The XLogP value of 4.6 indicates that Methyl dichloroasterrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl dichloroasterrate. Following Lipinski's Rule of Five, Methyl dichloroasterrate has 2 hydrogen bond donor(s) and 8 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 dichloroasterrate?
The CAS number of Methyl dichloroasterrate is 398118-62-2.
What is the molecular formula of Methyl dichloroasterrate?
The molecular formula of Methyl dichloroasterrate is C18H16Cl2O8.
What is the molecular weight of Methyl dichloroasterrate?
The molecular weight of Methyl dichloroasterrate is 430.02 g/mol.
Where can I buy Methyl dichloroasterrate?
You can request a quote for Methyl dichloroasterrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl dichloroasterrate?
Yes, KEHONG BIO provides custom synthesis services for Methyl dichloroasterrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.