Pyrocatechol, 4-(2-(N-propylphenethylamino)ethyl)-, diacetate, fumarate (2:1)
TL;DR: Pyrocatechol, 4-(2-(N-propylphenethylamino)ethyl)-, diacetate, fumarate (2:1) (CAS 70044-95-0) is a chemical compound with molecular formula C50H62N2O12 and molecular weight 882.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis([2-acetyloxy-4-[2-[2-phenylethyl(propyl)amino]ethyl]phenyl] acetate);(E)-but-2-enedioic acid
Also Known As: Phenethylamine, 3,4-diacetoxy-N-(2-phenethyl)-N-propyl-, fumarate (2:1), Pyrocatechol, 4-(2-(N-propylphenethylamino)ethyl)-, diacetate, fumarate (2:1), [2-acetyloxy-4-[2-[phenethyl(propyl)amino]ethyl]phenyl] acetate; (E)-but-2-enedioic acid, 1,2-Benzenediol, 4-[2-[(2-phenylethyl)propylamino]ethyl]-, diacetate (ester), (E)-2-butenedioate (2:1) (salt), RefChem:1097555
| Molecular Formula | C50H62N2O12 |
|---|---|
| Molecular Weight | 882.43 g/mol |
| LogP | 7.7806 |
| Topological Polar Surface Area | 186.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 22 |
| Exact Mass | 882.4303 |
| Heavy Atoms | 64 |
| Complexity | 1955.4535 |
Chemical Identifiers
| CAS Number | 70044-95-0 |
|---|---|
| SMILES | CCCN(CCC1=CC=CC=C1)CCC2=CC(=C(C=C2)OC(=O)C)OC(=O)C.CCCN(CCC1=CC=CC=C1)CCC2=CC(=C(C=C2)OC(=O)C)OC(=O)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
Pyrocatechol, 4-(2-(N-propylphenethylamino)ethyl)-, diacetate, fumarate (2:1) (CAS 70044-95-0), with molecular formula C50H62N2O12 and molecular weight 882.43 g/mol. IUPAC: bis([2-acetyloxy-4-[2-[2-phenylethyl(propyl)amino]ethyl]phenyl] acetate);(E)-but-2-enedioic acid.
Chemical Property Profile of Pyrocatechol, 4-(2-(N-propylphenethylamino)ethyl)-, diacetate, fumarate (2:1)
Property Insights of Pyrocatechol, 4-(2-(N-propylphenethylamino)ethyl)-, diacetate, fumarate (2:1)
The XLogP value of 7.7806 indicates that Pyrocatechol, 4-(2-(N-propylphenethylamino)ethyl)-, diacetate, fumarate (2:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 186.28 Ų indicates high polarity, suggesting Pyrocatechol, 4-(2-(N-propylphenethylamino)ethyl)-, diacetate, fumarate (2:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pyrocatechol, 4-(2-(N-propylphenethylamino)ethyl)-, diacetate, fumarate (2:1) has 2 hydrogen bond donor(s) and 12 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-propylphenethylamino)ethyl)-, diacetate, fumarate (2:1)?
The CAS number of Pyrocatechol, 4-(2-(N-propylphenethylamino)ethyl)-, diacetate, fumarate (2:1) is 70044-95-0.
What is the molecular formula of Pyrocatechol, 4-(2-(N-propylphenethylamino)ethyl)-, diacetate, fumarate (2:1)?
The molecular formula of Pyrocatechol, 4-(2-(N-propylphenethylamino)ethyl)-, diacetate, fumarate (2:1) is C50H62N2O12.
What is the molecular weight of Pyrocatechol, 4-(2-(N-propylphenethylamino)ethyl)-, diacetate, fumarate (2:1)?
The molecular weight of Pyrocatechol, 4-(2-(N-propylphenethylamino)ethyl)-, diacetate, fumarate (2:1) is 882.43 g/mol.
Where can I buy Pyrocatechol, 4-(2-(N-propylphenethylamino)ethyl)-, diacetate, fumarate (2:1)?
You can request a quote for Pyrocatechol, 4-(2-(N-propylphenethylamino)ethyl)-, diacetate, 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-propylphenethylamino)ethyl)-, diacetate, fumarate (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Pyrocatechol, 4-(2-(N-propylphenethylamino)ethyl)-, diacetate, fumarate (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.