Theophylline, 7-(5-((3-(3,4-dihydroxyphenyl)-2-propyl)amino)pentyl)-
TL;DR: Theophylline, 7-(5-((3-(3,4-dihydroxyphenyl)-2-propyl)amino)pentyl)- (CAS 62401-71-2) is a chemical compound with molecular formula C21H29N5O4 and molecular weight 415.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[5-[1-(3,4-dihydroxyphenyl)propan-2-ylamino]pentyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 7-(5-((3-(3,4-Dihydroxyphenyl)-2-propyl)amino)pentyl)theophylline, 5-26-14-00036 (Beilstein Handbook Reference), Theophylline, 7-(5-((3-(3,4-dihydroxyphenyl)-2-propyl)amino)pentyl)-, 7-(5-{[1-(3,4-dihydroxyphenyl)propan-2-yl]amino}pentyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-(5-((1-(3,4-Dihydroxyphenyl)propan-2-yl)amino)pentyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C21H29N5O4 |
|---|---|
| Molecular Weight | 415.22 g/mol |
| LogP | 1.236 |
| Topological Polar Surface Area | 114.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 415.22195 |
| Heavy Atoms | 30 |
| Complexity | 1144.7299 |
Chemical Identifiers
| CAS Number | 62401-71-2 |
|---|---|
| SMILES | CC(CC1=CC(=C(C=C1)O)O)NCCCCCN2C=NC3=C2C(=O)N(C(=O)N3C)C |
Product Overview
Theophylline, 7-(5-((3-(3,4-dihydroxyphenyl)-2-propyl)amino)pentyl)- (CAS 62401-71-2), with molecular formula C21H29N5O4 and molecular weight 415.22 g/mol. IUPAC: 7-[5-[1-(3,4-dihydroxyphenyl)propan-2-ylamino]pentyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of Theophylline, 7-(5-((3-(3,4-dihydroxyphenyl)-2-propyl)amino)pentyl)-
Property Insights of Theophylline, 7-(5-((3-(3,4-dihydroxyphenyl)-2-propyl)amino)pentyl)-
The XLogP value of 1.236 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Theophylline, 7-(5-((3-(3,4-dihydroxyphenyl)-2-propyl)amino)pentyl)-. The TPSA of 114.31 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 7-(5-((3-(3,4-dihydroxyphenyl)-2-propyl)amino)pentyl)-. Following Lipinski's Rule of Five, Theophylline, 7-(5-((3-(3,4-dihydroxyphenyl)-2-propyl)amino)pentyl)- has 3 hydrogen bond donor(s) and 6 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 Theophylline, 7-(5-((3-(3,4-dihydroxyphenyl)-2-propyl)amino)pentyl)-?
The CAS number of Theophylline, 7-(5-((3-(3,4-dihydroxyphenyl)-2-propyl)amino)pentyl)- is 62401-71-2.
What is the molecular formula of Theophylline, 7-(5-((3-(3,4-dihydroxyphenyl)-2-propyl)amino)pentyl)-?
The molecular formula of Theophylline, 7-(5-((3-(3,4-dihydroxyphenyl)-2-propyl)amino)pentyl)- is C21H29N5O4.
What is the molecular weight of Theophylline, 7-(5-((3-(3,4-dihydroxyphenyl)-2-propyl)amino)pentyl)-?
The molecular weight of Theophylline, 7-(5-((3-(3,4-dihydroxyphenyl)-2-propyl)amino)pentyl)- is 415.22 g/mol.
Where can I buy Theophylline, 7-(5-((3-(3,4-dihydroxyphenyl)-2-propyl)amino)pentyl)-?
You can request a quote for Theophylline, 7-(5-((3-(3,4-dihydroxyphenyl)-2-propyl)amino)pentyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theophylline, 7-(5-((3-(3,4-dihydroxyphenyl)-2-propyl)amino)pentyl)-?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 7-(5-((3-(3,4-dihydroxyphenyl)-2-propyl)amino)pentyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.