Phenol, m-(2-(N-propylphenethylamino)ethyl)-, benzoate, fumarate (1:1)
TL;DR: Phenol, m-(2-(N-propylphenethylamino)ethyl)-, benzoate, fumarate (1:1) (CAS 65934-60-3) is a chemical compound with molecular formula C30H33NO6 and molecular weight 503.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;[3-[2-[2-phenylethyl(propyl)amino]ethyl]phenyl] benzoate
Also Known As: Phenol, m-(2-(N-propylphenethylamino)ethyl)-, benzoate, fumarate (1:1), Phenethylamine, 3-benzoyloxy-N-(2-phenethyl)-N-propyl-, fumarate (1:1), Phenol, 3-(2-((2-phenylethyl)propylamino)ethyl)-, benzoate (ester), (ZE)-2-butenedioate (1;1), (E)-but-2-enedioic acid; [3-[2-[phenethyl(propyl)amino]ethyl]phenyl] benzoate, Phenol, 3-[2-[(2-phenylethyl)propylamino]ethyl]-, benzoate (ester), (E)-2-butenedioate (1:1) (salt)
| Molecular Formula | C30H33NO6 |
|---|---|
| Molecular Weight | 503.23 g/mol |
| LogP | 5.1148 |
| Topological Polar Surface Area | 104.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 503.23077 |
| Heavy Atoms | 37 |
| Complexity | 1129.0028 |
Chemical Identifiers
| CAS Number | 65934-60-3 |
|---|---|
| SMILES | CCCN(CCC1=CC=CC=C1)CCC2=CC(=CC=C2)OC(=O)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O |
Product Overview
Phenol, m-(2-(N-propylphenethylamino)ethyl)-, benzoate, fumarate (1:1) (CAS 65934-60-3), with molecular formula C30H33NO6 and molecular weight 503.23 g/mol. IUPAC: (E)-but-2-enedioic acid;[3-[2-[2-phenylethyl(propyl)amino]ethyl]phenyl] benzoate.
Chemical Property Profile of Phenol, m-(2-(N-propylphenethylamino)ethyl)-, benzoate, fumarate (1:1)
Property Insights of Phenol, m-(2-(N-propylphenethylamino)ethyl)-, benzoate, fumarate (1:1)
The XLogP value of 5.1148 indicates that Phenol, m-(2-(N-propylphenethylamino)ethyl)-, benzoate, fumarate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.14 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenol, m-(2-(N-propylphenethylamino)ethyl)-, benzoate, fumarate (1:1). Following Lipinski's Rule of Five, Phenol, m-(2-(N-propylphenethylamino)ethyl)-, benzoate, fumarate (1:1) has 2 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 Phenol, m-(2-(N-propylphenethylamino)ethyl)-, benzoate, fumarate (1:1)?
The CAS number of Phenol, m-(2-(N-propylphenethylamino)ethyl)-, benzoate, fumarate (1:1) is 65934-60-3.
What is the molecular formula of Phenol, m-(2-(N-propylphenethylamino)ethyl)-, benzoate, fumarate (1:1)?
The molecular formula of Phenol, m-(2-(N-propylphenethylamino)ethyl)-, benzoate, fumarate (1:1) is C30H33NO6.
What is the molecular weight of Phenol, m-(2-(N-propylphenethylamino)ethyl)-, benzoate, fumarate (1:1)?
The molecular weight of Phenol, m-(2-(N-propylphenethylamino)ethyl)-, benzoate, fumarate (1:1) is 503.23 g/mol.
Where can I buy Phenol, m-(2-(N-propylphenethylamino)ethyl)-, benzoate, fumarate (1:1)?
You can request a quote for Phenol, m-(2-(N-propylphenethylamino)ethyl)-, benzoate, 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 Phenol, m-(2-(N-propylphenethylamino)ethyl)-, benzoate, fumarate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Phenol, m-(2-(N-propylphenethylamino)ethyl)-, benzoate, fumarate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.