2,6-Bis((dimethylamino)methyl)-4-methoxyphenol fumarate
TL;DR: 2,6-Bis((dimethylamino)methyl)-4-methoxyphenol fumarate (CAS 1059693-68-3) is a chemical compound with molecular formula C17H26N2O6 and molecular weight 354.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-bis[(dimethylamino)methyl]-4-methoxyphenol;(E)-but-2-enedioic acid
Also Known As: 2,6-bis((dimethylamino)methyl)-4-methoxyphenol fumarate, 2,6-bis(dimethylaminomethyl)-4-methoxyphenol; (E)-but-2-enedioic acid, IUPAC: 2,6-bis(dimethylaminomethyl)-4-methoxy-phenol; But-2-enedioic Acid
| Molecular Formula | C17H26N2O6 |
|---|---|
| Molecular Weight | 354.18 g/mol |
| LogP | 1.2358 |
| Topological Polar Surface Area | 110.54 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 354.17908 |
| Heavy Atoms | 25 |
| Complexity | 564.1508 |
Chemical Identifiers
| CAS Number | 1059693-68-3 |
|---|---|
| SMILES | CN(C)CC1=CC(=CC(=C1O)CN(C)C)OC.C(=C/C(=O)O)\C(=O)O |
Product Overview
2,6-Bis((dimethylamino)methyl)-4-methoxyphenol fumarate (CAS 1059693-68-3), with molecular formula C17H26N2O6 and molecular weight 354.18 g/mol. IUPAC: 2,6-bis[(dimethylamino)methyl]-4-methoxyphenol;(E)-but-2-enedioic acid.
Chemical Property Profile of 2,6-Bis((dimethylamino)methyl)-4-methoxyphenol fumarate
Property Insights of 2,6-Bis((dimethylamino)methyl)-4-methoxyphenol fumarate
The XLogP value of 1.2358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Bis((dimethylamino)methyl)-4-methoxyphenol fumarate. The TPSA of 110.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Bis((dimethylamino)methyl)-4-methoxyphenol fumarate. Following Lipinski's Rule of Five, 2,6-Bis((dimethylamino)methyl)-4-methoxyphenol fumarate has 3 hydrogen bond donor(s) and 6 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 2,6-Bis((dimethylamino)methyl)-4-methoxyphenol fumarate?
The CAS number of 2,6-Bis((dimethylamino)methyl)-4-methoxyphenol fumarate is 1059693-68-3.
What is the molecular formula of 2,6-Bis((dimethylamino)methyl)-4-methoxyphenol fumarate?
The molecular formula of 2,6-Bis((dimethylamino)methyl)-4-methoxyphenol fumarate is C17H26N2O6.
What is the molecular weight of 2,6-Bis((dimethylamino)methyl)-4-methoxyphenol fumarate?
The molecular weight of 2,6-Bis((dimethylamino)methyl)-4-methoxyphenol fumarate is 354.18 g/mol.
Where can I buy 2,6-Bis((dimethylamino)methyl)-4-methoxyphenol fumarate?
You can request a quote for 2,6-Bis((dimethylamino)methyl)-4-methoxyphenol fumarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Bis((dimethylamino)methyl)-4-methoxyphenol fumarate?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Bis((dimethylamino)methyl)-4-methoxyphenol fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.