4-(2-((3-(3-Benzenecarboxamide)-1-methylpropyl)amino)ethyl)-1,2-benzenediol
TL;DR: 4-(2-((3-(3-Benzenecarboxamide)-1-methylpropyl)amino)ethyl)-1,2-benzenediol (CAS 97816-65-4) is a chemical compound with molecular formula C19H24N2O3 and molecular weight 328.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[2-(3,4-dihydroxyphenyl)ethylamino]butyl]benzamide
Also Known As: 4-Bcmpeb, KM 13, 3-[3-[2-(3,4-dihydroxyphenyl)ethylamino]butyl]benzamide, Benzamide, 3-(3-((2-(3,4-dihydroxyphenyl)ethyl)amino)butyl)-, 4-(2-((3-(3-Benzenecarboxamide)-1-methylpropyl)amino)ethyl)-1,2-benzenediol
| Molecular Formula | C19H24N2O3 |
|---|---|
| Molecular Weight | 328.18 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 95.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 328.17868 |
| Heavy Atoms | 24 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 97816-65-4 |
|---|---|
| SMILES | CC(CCC1=CC(=CC=C1)C(=O)N)NCCC2=CC(=C(C=C2)O)O |
| InChIKey | BBUNVYREERPUHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2-((3-(3-Benzenecarboxamide)-1-methylpropyl)amino)ethyl)-1,2-benzenediol (CAS 97816-65-4), with molecular formula C19H24N2O3 and molecular weight 328.18 g/mol. IUPAC: 3-[3-[2-(3,4-dihydroxyphenyl)ethylamino]butyl]benzamide.
Chemical Property Profile of 4-(2-((3-(3-Benzenecarboxamide)-1-methylpropyl)amino)ethyl)-1,2-benzenediol
Property Insights of 4-(2-((3-(3-Benzenecarboxamide)-1-methylpropyl)amino)ethyl)-1,2-benzenediol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-((3-(3-Benzenecarboxamide)-1-methylpropyl)amino)ethyl)-1,2-benzenediol. The TPSA of 95.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-((3-(3-Benzenecarboxamide)-1-methylpropyl)amino)ethyl)-1,2-benzenediol. Following Lipinski's Rule of Five, 4-(2-((3-(3-Benzenecarboxamide)-1-methylpropyl)amino)ethyl)-1,2-benzenediol has 4 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 4-(2-((3-(3-Benzenecarboxamide)-1-methylpropyl)amino)ethyl)-1,2-benzenediol?
The CAS number of 4-(2-((3-(3-Benzenecarboxamide)-1-methylpropyl)amino)ethyl)-1,2-benzenediol is 97816-65-4.
What is the molecular formula of 4-(2-((3-(3-Benzenecarboxamide)-1-methylpropyl)amino)ethyl)-1,2-benzenediol?
The molecular formula of 4-(2-((3-(3-Benzenecarboxamide)-1-methylpropyl)amino)ethyl)-1,2-benzenediol is C19H24N2O3.
What is the molecular weight of 4-(2-((3-(3-Benzenecarboxamide)-1-methylpropyl)amino)ethyl)-1,2-benzenediol?
The molecular weight of 4-(2-((3-(3-Benzenecarboxamide)-1-methylpropyl)amino)ethyl)-1,2-benzenediol is 328.18 g/mol.
Where can I buy 4-(2-((3-(3-Benzenecarboxamide)-1-methylpropyl)amino)ethyl)-1,2-benzenediol?
You can request a quote for 4-(2-((3-(3-Benzenecarboxamide)-1-methylpropyl)amino)ethyl)-1,2-benzenediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-((3-(3-Benzenecarboxamide)-1-methylpropyl)amino)ethyl)-1,2-benzenediol?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-((3-(3-Benzenecarboxamide)-1-methylpropyl)amino)ethyl)-1,2-benzenediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.