7-(2-((3-(p-Hydroxyphenyl)-2-propyl)amino)ethyl)theophylline
TL;DR: 7-(2-((3-(p-Hydroxyphenyl)-2-propyl)amino)ethyl)theophylline (CAS 62401-66-5) is a chemical compound with molecular formula C18H23N5O3 and molecular weight 357.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]-1,3-dimethylpurine-2,6-dione
Also Known As: D 487, 7-(2-((3-(p-Hydroxyphenyl)-2-propyl)amino)ethyl)theophylline, 5-26-14-00008 (Beilstein Handbook Reference), Theophylline, 7-(2-((3-(p-hydroxyphenyl)-2-propyl)amino)ethyl)-, 7-[2-[[2-(p-Hydroxyphenyl)-1-methylethyl]amino]ethyl]theophyline
| Molecular Formula | C18H23N5O3 |
|---|---|
| Molecular Weight | 357.18 g/mol |
| LogP | 0.3601 |
| Topological Polar Surface Area | 94.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.18008 |
| Heavy Atoms | 26 |
| Complexity | 1029.8917 |
Chemical Identifiers
| CAS Number | 62401-66-5 |
|---|---|
| SMILES | CC(CC1=CC=C(C=C1)O)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C |
Product Overview
7-(2-((3-(p-Hydroxyphenyl)-2-propyl)amino)ethyl)theophylline (CAS 62401-66-5), with molecular formula C18H23N5O3 and molecular weight 357.18 g/mol. IUPAC: 7-[2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-(2-((3-(p-Hydroxyphenyl)-2-propyl)amino)ethyl)theophylline
Property Insights of 7-(2-((3-(p-Hydroxyphenyl)-2-propyl)amino)ethyl)theophylline
The XLogP value of 0.3601 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-((3-(p-Hydroxyphenyl)-2-propyl)amino)ethyl)theophylline. The TPSA of 94.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-((3-(p-Hydroxyphenyl)-2-propyl)amino)ethyl)theophylline. Following Lipinski's Rule of Five, 7-(2-((3-(p-Hydroxyphenyl)-2-propyl)amino)ethyl)theophylline has 2 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 7-(2-((3-(p-Hydroxyphenyl)-2-propyl)amino)ethyl)theophylline?
The CAS number of 7-(2-((3-(p-Hydroxyphenyl)-2-propyl)amino)ethyl)theophylline is 62401-66-5.
What is the molecular formula of 7-(2-((3-(p-Hydroxyphenyl)-2-propyl)amino)ethyl)theophylline?
The molecular formula of 7-(2-((3-(p-Hydroxyphenyl)-2-propyl)amino)ethyl)theophylline is C18H23N5O3.
What is the molecular weight of 7-(2-((3-(p-Hydroxyphenyl)-2-propyl)amino)ethyl)theophylline?
The molecular weight of 7-(2-((3-(p-Hydroxyphenyl)-2-propyl)amino)ethyl)theophylline is 357.18 g/mol.
Where can I buy 7-(2-((3-(p-Hydroxyphenyl)-2-propyl)amino)ethyl)theophylline?
You can request a quote for 7-(2-((3-(p-Hydroxyphenyl)-2-propyl)amino)ethyl)theophylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(2-((3-(p-Hydroxyphenyl)-2-propyl)amino)ethyl)theophylline?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-((3-(p-Hydroxyphenyl)-2-propyl)amino)ethyl)theophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.