Pyrocatechol, 4-(2-(N-propylphenethylamino)ethyl)-, t-butyrate, fumarate (1:1)
TL;DR: Pyrocatechol, 4-(2-(N-propylphenethylamino)ethyl)-, t-butyrate, fumarate (1:1) (CAS 70044-97-2) is a chemical compound with molecular formula C33H45NO8 and molecular weight 583.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;[2-(2,2-dimethylpropanoyloxy)-4-[2-[2-phenylethyl(propyl)amino]ethyl]phenyl] 2,2-dimethylpropanoate
Also Known As: 4-(2-(N-Propylphenethylamino)ethyl)pyrocatechol t-butyrate fumarate (1:1), Pyrocatechol, 4-(2-(N-propylphenethylamino)ethyl)-, t-butyrate, fumarate (1:1), (E)-but-2-enedioic acid; [2-(2,2-dimethylpropanoyloxy)-4-[2-[phenethyl(propyl)amino]ethyl]phenyl] 2,2-dimethylpropanoate, RefChem:1097556
| Molecular Formula | C33H45NO8 |
|---|---|
| Molecular Weight | 583.31 g/mol |
| LogP | 5.7986 |
| Topological Polar Surface Area | 130.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 583.3145 |
| Heavy Atoms | 42 |
| Complexity | 1190.7919 |
Chemical Identifiers
| CAS Number | 70044-97-2 |
|---|---|
| SMILES | CCCN(CCC1=CC=CC=C1)CCC2=CC(=C(C=C2)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
Pyrocatechol, 4-(2-(N-propylphenethylamino)ethyl)-, t-butyrate, fumarate (1:1) (CAS 70044-97-2), with molecular formula C33H45NO8 and molecular weight 583.31 g/mol. IUPAC: (E)-but-2-enedioic acid;[2-(2,2-dimethylpropanoyloxy)-4-[2-[2-phenylethyl(propyl)amino]ethyl]phenyl] 2,2-dimethylpropanoate.
Chemical Property Profile of Pyrocatechol, 4-(2-(N-propylphenethylamino)ethyl)-, t-butyrate, fumarate (1:1)
Property Insights of Pyrocatechol, 4-(2-(N-propylphenethylamino)ethyl)-, t-butyrate, fumarate (1:1)
The XLogP value of 5.7986 indicates that Pyrocatechol, 4-(2-(N-propylphenethylamino)ethyl)-, t-butyrate, fumarate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrocatechol, 4-(2-(N-propylphenethylamino)ethyl)-, t-butyrate, fumarate (1:1). Following Lipinski's Rule of Five, Pyrocatechol, 4-(2-(N-propylphenethylamino)ethyl)-, t-butyrate, fumarate (1:1) has 2 hydrogen bond donor(s) and 7 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)-, t-butyrate, fumarate (1:1)?
The CAS number of Pyrocatechol, 4-(2-(N-propylphenethylamino)ethyl)-, t-butyrate, fumarate (1:1) is 70044-97-2.
What is the molecular formula of Pyrocatechol, 4-(2-(N-propylphenethylamino)ethyl)-, t-butyrate, fumarate (1:1)?
The molecular formula of Pyrocatechol, 4-(2-(N-propylphenethylamino)ethyl)-, t-butyrate, fumarate (1:1) is C33H45NO8.
What is the molecular weight of Pyrocatechol, 4-(2-(N-propylphenethylamino)ethyl)-, t-butyrate, fumarate (1:1)?
The molecular weight of Pyrocatechol, 4-(2-(N-propylphenethylamino)ethyl)-, t-butyrate, fumarate (1:1) is 583.31 g/mol.
Where can I buy Pyrocatechol, 4-(2-(N-propylphenethylamino)ethyl)-, t-butyrate, fumarate (1:1)?
You can request a quote for Pyrocatechol, 4-(2-(N-propylphenethylamino)ethyl)-, t-butyrate, fumarate (1:1) 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)-, t-butyrate, fumarate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Pyrocatechol, 4-(2-(N-propylphenethylamino)ethyl)-, t-butyrate, fumarate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.