Methyl Asterrate
TL;DR: Methyl Asterrate (CAS 59170-17-1) is a chemical compound with molecular formula C18H18O8 and molecular weight 362.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate
Also Known As: Methyl Asterrate, Asterric acid methyl ester, MEGxm0_000386, ACon0_000931, ACon1_000170
| Molecular Formula | C18H18O8 |
|---|---|
| Molecular Weight | 362.10 g/mol |
| LogP | 2.78032 |
| Topological Polar Surface Area | 111.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.10016 |
| Heavy Atoms | 26 |
| Complexity | 856.755 |
Chemical Identifiers
| CAS Number | 59170-17-1 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)OC2=C(C=C(C=C2OC)O)C(=O)OC)C(=O)OC)O |
Product Overview
Methyl Asterrate (CAS 59170-17-1), with molecular formula C18H18O8 and molecular weight 362.10 g/mol. IUPAC: methyl 2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate.
Chemical Property Profile of Methyl Asterrate
Property Insights of Methyl Asterrate
The XLogP value of 2.78032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl Asterrate. The TPSA of 111.52 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl Asterrate. Following Lipinski's Rule of Five, Methyl Asterrate 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 Asterrate?
The CAS number of Methyl Asterrate is 59170-17-1.
What is the molecular formula of Methyl Asterrate?
The molecular formula of Methyl Asterrate is C18H18O8.
What is the molecular weight of Methyl Asterrate?
The molecular weight of Methyl Asterrate is 362.10 g/mol.
Where can I buy Methyl Asterrate?
You can request a quote for Methyl Asterrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl Asterrate?
Yes, KEHONG BIO provides custom synthesis services for Methyl Asterrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.