Phenol, m-(2-(N-ethylphenethylamino)ethyl)-, fumarate (1:1)
TL;DR: Phenol, m-(2-(N-ethylphenethylamino)ethyl)-, fumarate (1:1) (CAS 70045-24-8) is a chemical compound with molecular formula C22H27NO5 and molecular weight 385.19 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-[ethyl(2-phenylethyl)amino]ethyl]phenol
Also Known As: Phenol, m-(2-(N-ethylphenethylamino)ethyl)-, fumarate (1:1), m-(2-(N-Ethylphenethylamino)ethyl)phenol fumarate (1:1), Phenol, m-(2-(N-ethylphenethylamino)ethyl)-, fumarate (1, (E)-but-2-enedioic acid;3-[2-[ethyl(2-phenylethyl)amino]ethyl]phenol, (E)-but-2-enedioic acid; 3-[2-[ethyl(phenethyl)amino]ethyl]phenol
| Molecular Formula | C22H27NO5 |
|---|---|
| Molecular Weight | 385.19 g/mol |
| LogP | 3.2111 |
| Topological Polar Surface Area | 98.07 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 385.18893 |
| Heavy Atoms | 28 |
| Complexity | 742.5322 |
Chemical Identifiers
| CAS Number | 70045-24-8 |
|---|---|
| SMILES | CCN(CCC1=CC=CC=C1)CCC2=CC(=CC=C2)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
Phenol, m-(2-(N-ethylphenethylamino)ethyl)-, fumarate (1:1) (CAS 70045-24-8), with molecular formula C22H27NO5 and molecular weight 385.19 g/mol. IUPAC: (E)-but-2-enedioic acid;3-[2-[ethyl(2-phenylethyl)amino]ethyl]phenol.
Chemical Property Profile of Phenol, m-(2-(N-ethylphenethylamino)ethyl)-, fumarate (1:1)
Property Insights of Phenol, m-(2-(N-ethylphenethylamino)ethyl)-, fumarate (1:1)
The XLogP value of 3.2111 indicates that Phenol, m-(2-(N-ethylphenethylamino)ethyl)-, fumarate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.07 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenol, m-(2-(N-ethylphenethylamino)ethyl)-, fumarate (1:1). Following Lipinski's Rule of Five, Phenol, m-(2-(N-ethylphenethylamino)ethyl)-, fumarate (1:1) has 3 hydrogen bond donor(s) and 4 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 Phenol, m-(2-(N-ethylphenethylamino)ethyl)-, fumarate (1:1)?
The CAS number of Phenol, m-(2-(N-ethylphenethylamino)ethyl)-, fumarate (1:1) is 70045-24-8.
What is the molecular formula of Phenol, m-(2-(N-ethylphenethylamino)ethyl)-, fumarate (1:1)?
The molecular formula of Phenol, m-(2-(N-ethylphenethylamino)ethyl)-, fumarate (1:1) is C22H27NO5.
What is the molecular weight of Phenol, m-(2-(N-ethylphenethylamino)ethyl)-, fumarate (1:1)?
The molecular weight of Phenol, m-(2-(N-ethylphenethylamino)ethyl)-, fumarate (1:1) is 385.19 g/mol.
Where can I buy Phenol, m-(2-(N-ethylphenethylamino)ethyl)-, fumarate (1:1)?
You can request a quote for Phenol, m-(2-(N-ethylphenethylamino)ethyl)-, 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-ethylphenethylamino)ethyl)-, fumarate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Phenol, m-(2-(N-ethylphenethylamino)ethyl)-, fumarate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.