Benzeneoctanoic acid, 3-methoxy-2-(methoxycarbonyl)-, methyl ester
TL;DR: Benzeneoctanoic acid, 3-methoxy-2-(methoxycarbonyl)-, methyl ester (CAS 56554-81-5) is a chemical compound with molecular formula C18H26O5 and molecular weight 322.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methoxy-6-(8-methoxy-8-oxooctyl)benzoate
Also Known As: Methyl 2-methoxy-6-(8-methoxy-8-oxooctyl)benzoate, methyl 8-(3-methoxy-2-carbomethoxyphenyl)octanoate, 3-Methoxy-2-methoxycarbonylbenzeneoctanoic acid methyl ester, Methyl 2-methoxy-6-(8-methoxy-8-oxooctyl)benzoate #, Benzeneoctanoic acid, 3-methoxy-2-(methoxycarbonyl)-, methyl ester
| Molecular Formula | C18H26O5 |
|---|---|
| Molecular Weight | 322.18 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 322.178 |
| Heavy Atoms | 23 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 56554-81-5 |
|---|---|
| SMILES | COC1=CC=CC(=C1C(=O)OC)CCCCCCCC(=O)OC |
| InChIKey | VLBBQCCRAJAEGD-UHFFFAOYSA-N |
Product Overview
Benzeneoctanoic acid, 3-methoxy-2-(methoxycarbonyl)-, methyl ester (CAS 56554-81-5), with molecular formula C18H26O5 and molecular weight 322.18 g/mol. IUPAC: methyl 2-methoxy-6-(8-methoxy-8-oxooctyl)benzoate.
Chemical Property Profile of Benzeneoctanoic acid, 3-methoxy-2-(methoxycarbonyl)-, methyl ester
Property Insights of Benzeneoctanoic acid, 3-methoxy-2-(methoxycarbonyl)-, methyl ester
The XLogP value of 4.4 indicates that Benzeneoctanoic acid, 3-methoxy-2-(methoxycarbonyl)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneoctanoic acid, 3-methoxy-2-(methoxycarbonyl)-, methyl ester. Following Lipinski's Rule of Five, Benzeneoctanoic acid, 3-methoxy-2-(methoxycarbonyl)-, methyl ester 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 Benzeneoctanoic acid, 3-methoxy-2-(methoxycarbonyl)-, methyl ester?
The CAS number of Benzeneoctanoic acid, 3-methoxy-2-(methoxycarbonyl)-, methyl ester is 56554-81-5.
What is the molecular formula of Benzeneoctanoic acid, 3-methoxy-2-(methoxycarbonyl)-, methyl ester?
The molecular formula of Benzeneoctanoic acid, 3-methoxy-2-(methoxycarbonyl)-, methyl ester is C18H26O5.
What is the molecular weight of Benzeneoctanoic acid, 3-methoxy-2-(methoxycarbonyl)-, methyl ester?
The molecular weight of Benzeneoctanoic acid, 3-methoxy-2-(methoxycarbonyl)-, methyl ester is 322.18 g/mol.
Where can I buy Benzeneoctanoic acid, 3-methoxy-2-(methoxycarbonyl)-, methyl ester?
You can request a quote for Benzeneoctanoic acid, 3-methoxy-2-(methoxycarbonyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneoctanoic acid, 3-methoxy-2-(methoxycarbonyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneoctanoic acid, 3-methoxy-2-(methoxycarbonyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.