![But-2-enedioic acid;4-[2-[2-phenylethyl(prop-2-enyl)amino]ethyl]benzene-1,2-diol structure](/static/products/7004/70045-08-8.webp)
But-2-enedioic acid;4-[2-[2-phenylethyl(prop-2-enyl)amino]ethyl]benzene-1,2-diol
TL;DR: But-2-enedioic acid;4-[2-[2-phenylethyl(prop-2-enyl)amino]ethyl]benzene-1,2-diol (CAS 70045-08-8) is a chemical compound with molecular formula C23H27NO6 and molecular weight 413.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;4-[2-[2-phenylethyl(prop-2-enyl)amino]ethyl]benzene-1,2-diol
Also Known As: 4-(2-(N-ALLYLPHENETHYLAMINO)ETHYL)PYROCATECHOL FUMARATE, Phenethylamine, 3,4-dihydroxy-N-allyl-N-phenethyl-, fumarate (1:1), Pyrocatechol, 4-(2-(N-allylphenethylamino)ethyl)-, fumarate (1:1), 1,2-Benzenediol, 4-[2-[(2-phenylethyl)-2-propenylamino]ethyl]-, (E)-2-butenedioate (1:1) (salt)
| Molecular Formula | C23H27NO6 |
|---|---|
| Molecular Weight | 413.18 g/mol |
| LogP | 3.0828 |
| Topological Polar Surface Area | 118.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 413.18384 |
| Heavy Atoms | 30 |
| Complexity | 832.02673 |
Chemical Identifiers
| CAS Number | 70045-08-8 |
|---|---|
| SMILES | C=CCN(CCC1=CC=CC=C1)CCC2=CC(=C(C=C2)O)O.C(=CC(=O)O)C(=O)O |
Product Overview
But-2-enedioic acid;4-[2-[2-phenylethyl(prop-2-enyl)amino]ethyl]benzene-1,2-diol (CAS 70045-08-8), with molecular formula C23H27NO6 and molecular weight 413.18 g/mol. IUPAC: but-2-enedioic acid;4-[2-[2-phenylethyl(prop-2-enyl)amino]ethyl]benzene-1,2-diol.
Chemical Property Profile of But-2-enedioic acid;4-[2-[2-phenylethyl(prop-2-enyl)amino]ethyl]benzene-1,2-diol
Property Insights of But-2-enedioic acid;4-[2-[2-phenylethyl(prop-2-enyl)amino]ethyl]benzene-1,2-diol
The XLogP value of 3.0828 indicates that But-2-enedioic acid;4-[2-[2-phenylethyl(prop-2-enyl)amino]ethyl]benzene-1,2-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.3 Ų falls within the moderate polarity range, balancing permeability and solubility for But-2-enedioic acid;4-[2-[2-phenylethyl(prop-2-enyl)amino]ethyl]benzene-1,2-diol. Following Lipinski's Rule of Five, But-2-enedioic acid;4-[2-[2-phenylethyl(prop-2-enyl)amino]ethyl]benzene-1,2-diol has 4 hydrogen bond donor(s) and 5 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 But-2-enedioic acid;4-[2-[2-phenylethyl(prop-2-enyl)amino]ethyl]benzene-1,2-diol?
The CAS number of But-2-enedioic acid;4-[2-[2-phenylethyl(prop-2-enyl)amino]ethyl]benzene-1,2-diol is 70045-08-8.
What is the molecular formula of But-2-enedioic acid;4-[2-[2-phenylethyl(prop-2-enyl)amino]ethyl]benzene-1,2-diol?
The molecular formula of But-2-enedioic acid;4-[2-[2-phenylethyl(prop-2-enyl)amino]ethyl]benzene-1,2-diol is C23H27NO6.
What is the molecular weight of But-2-enedioic acid;4-[2-[2-phenylethyl(prop-2-enyl)amino]ethyl]benzene-1,2-diol?
The molecular weight of But-2-enedioic acid;4-[2-[2-phenylethyl(prop-2-enyl)amino]ethyl]benzene-1,2-diol is 413.18 g/mol.
Where can I buy But-2-enedioic acid;4-[2-[2-phenylethyl(prop-2-enyl)amino]ethyl]benzene-1,2-diol?
You can request a quote for But-2-enedioic acid;4-[2-[2-phenylethyl(prop-2-enyl)amino]ethyl]benzene-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for But-2-enedioic acid;4-[2-[2-phenylethyl(prop-2-enyl)amino]ethyl]benzene-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for But-2-enedioic acid;4-[2-[2-phenylethyl(prop-2-enyl)amino]ethyl]benzene-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.