Benzenedodecanoic acid, 3-methoxy-2-(methoxycarbonyl)-, methyl ester
TL;DR: Benzenedodecanoic acid, 3-methoxy-2-(methoxycarbonyl)-, methyl ester (CAS 56554-83-7) is a chemical compound with molecular formula C22H34O5 and molecular weight 378.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methoxy-6-(12-methoxy-12-oxododecyl)benzoate
Also Known As: Methyl 2-methoxy-6-(12-methoxy-12-oxododecyl)benzoate, 3-Methoxy-2-methoxycarbonylbenzenedodecanoic acid methyl ester, Benzenedodecanoic acid, 3-methoxy-2-(methoxycarbonyl)-, methyl ester, Methyl 2-methoxy-6-(12-methoxy-12-oxododecyl)benzoate #
| Molecular Formula | C22H34O5 |
|---|---|
| Molecular Weight | 378.24 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 16 |
| Exact Mass | 378.24063 |
| Heavy Atoms | 27 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 56554-83-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1C(=O)OC)CCCCCCCCCCCC(=O)OC |
| InChIKey | FROFCMJKAFSOTB-UHFFFAOYSA-N |
Product Overview
Benzenedodecanoic acid, 3-methoxy-2-(methoxycarbonyl)-, methyl ester (CAS 56554-83-7), with molecular formula C22H34O5 and molecular weight 378.24 g/mol. IUPAC: methyl 2-methoxy-6-(12-methoxy-12-oxododecyl)benzoate.
Chemical Property Profile of Benzenedodecanoic acid, 3-methoxy-2-(methoxycarbonyl)-, methyl ester
Property Insights of Benzenedodecanoic acid, 3-methoxy-2-(methoxycarbonyl)-, methyl ester
The XLogP value of 6.5 indicates that Benzenedodecanoic 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 Benzenedodecanoic acid, 3-methoxy-2-(methoxycarbonyl)-, methyl ester. Following Lipinski's Rule of Five, Benzenedodecanoic acid, 3-methoxy-2-(methoxycarbonyl)-, methyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenedodecanoic acid, 3-methoxy-2-(methoxycarbonyl)-, methyl ester?
The CAS number of Benzenedodecanoic acid, 3-methoxy-2-(methoxycarbonyl)-, methyl ester is 56554-83-7.
What is the molecular formula of Benzenedodecanoic acid, 3-methoxy-2-(methoxycarbonyl)-, methyl ester?
The molecular formula of Benzenedodecanoic acid, 3-methoxy-2-(methoxycarbonyl)-, methyl ester is C22H34O5.
What is the molecular weight of Benzenedodecanoic acid, 3-methoxy-2-(methoxycarbonyl)-, methyl ester?
The molecular weight of Benzenedodecanoic acid, 3-methoxy-2-(methoxycarbonyl)-, methyl ester is 378.24 g/mol.
Where can I buy Benzenedodecanoic acid, 3-methoxy-2-(methoxycarbonyl)-, methyl ester?
You can request a quote for Benzenedodecanoic 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 Benzenedodecanoic acid, 3-methoxy-2-(methoxycarbonyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenedodecanoic acid, 3-methoxy-2-(methoxycarbonyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.