Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, fumarate (2:1)
TL;DR: Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, fumarate (2:1) (CAS 70044-85-8) is a chemical compound with molecular formula C38H46N2O8 and molecular weight 658.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;bis(4-[2-[methyl(2-phenylethyl)amino]ethyl]benzene-1,2-diol)
Also Known As: Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, fumarate (2:1), Phenethylamine, 3,4-dihydroxy-N-methyl-N-phenethyl-, fumarate (2:1), (E)-but-2-enedioic acid; 4-[2-[methyl(phenethyl)amino]ethyl]benzene-1,2-diol, 1,2-Benzenediol, 4-[2-[methyl(2-phenylethyl)amino]ethyl]-, (E)-2-butenedioate (2:1) (salt), RefChem:1097554
| Molecular Formula | C38H46N2O8 |
|---|---|
| Molecular Weight | 658.33 g/mol |
| LogP | 5.3414 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 658.32544 |
| Heavy Atoms | 48 |
| Complexity | 1444.981 |
Chemical Identifiers
| CAS Number | 70044-85-8 |
|---|---|
| SMILES | CN(CCC1=CC=CC=C1)CCC2=CC(=C(C=C2)O)O.CN(CCC1=CC=CC=C1)CCC2=CC(=C(C=C2)O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, fumarate (2:1) (CAS 70044-85-8), with molecular formula C38H46N2O8 and molecular weight 658.33 g/mol. IUPAC: (E)-but-2-enedioic acid;bis(4-[2-[methyl(2-phenylethyl)amino]ethyl]benzene-1,2-diol).
Chemical Property Profile of Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, fumarate (2:1)
Property Insights of Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, fumarate (2:1)
The XLogP value of 5.3414 indicates that Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, fumarate (2:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.0 Ų indicates high polarity, suggesting Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, fumarate (2:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, fumarate (2:1) has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, fumarate (2:1)?
The CAS number of Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, fumarate (2:1) is 70044-85-8.
What is the molecular formula of Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, fumarate (2:1)?
The molecular formula of Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, fumarate (2:1) is C38H46N2O8.
What is the molecular weight of Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, fumarate (2:1)?
The molecular weight of Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, fumarate (2:1) is 658.33 g/mol.
Where can I buy Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, fumarate (2:1)?
You can request a quote for Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, fumarate (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, fumarate (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, fumarate (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.