![7-[beta-Hydroxy-gamma-(diisobutylamino)propyl]theophyline structure](/static/products/7059/7059-75-8.webp)
7-[beta-Hydroxy-gamma-(diisobutylamino)propyl]theophyline
TL;DR: 7-[beta-Hydroxy-gamma-(diisobutylamino)propyl]theophyline (CAS 7059-75-8) is a chemical compound with molecular formula C18H31N5O3 and molecular weight 365.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-[bis(2-methylpropyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 7-[beta-Hydroxy-gamma-(diisobutylamino)propyl]theophyline, 7-[3-[Bis(2-methylpropyl)amino]-2-hydroxypropyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, 7-{3-[bis(2-methylpropyl)amino]-2-hydroxypropyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-[3-[bis(2-methylpropyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione, 3,7-Dihydro-1,3-dimethyl-7-[beta-hydroxy-gamma-(diisobutylamino)propyl]-1H-purine-2,6-dione
| Molecular Formula | C18H31N5O3 |
|---|---|
| Molecular Weight | 365.24 g/mol |
| LogP | 0.4086 |
| Topological Polar Surface Area | 85.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 365.24268 |
| Heavy Atoms | 26 |
| Complexity | 852.0593 |
Chemical Identifiers
| CAS Number | 7059-75-8 |
|---|---|
| SMILES | CC(C)CN(CC(C)C)CC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O |
Product Overview
7-[beta-Hydroxy-gamma-(diisobutylamino)propyl]theophyline (CAS 7059-75-8), with molecular formula C18H31N5O3 and molecular weight 365.24 g/mol. IUPAC: 7-[3-[bis(2-methylpropyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-[beta-Hydroxy-gamma-(diisobutylamino)propyl]theophyline
Property Insights of 7-[beta-Hydroxy-gamma-(diisobutylamino)propyl]theophyline
The XLogP value of 0.4086 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[beta-Hydroxy-gamma-(diisobutylamino)propyl]theophyline. The TPSA of 85.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[beta-Hydroxy-gamma-(diisobutylamino)propyl]theophyline. Following Lipinski's Rule of Five, 7-[beta-Hydroxy-gamma-(diisobutylamino)propyl]theophyline has 1 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-[beta-Hydroxy-gamma-(diisobutylamino)propyl]theophyline?
The CAS number of 7-[beta-Hydroxy-gamma-(diisobutylamino)propyl]theophyline is 7059-75-8.
What is the molecular formula of 7-[beta-Hydroxy-gamma-(diisobutylamino)propyl]theophyline?
The molecular formula of 7-[beta-Hydroxy-gamma-(diisobutylamino)propyl]theophyline is C18H31N5O3.
What is the molecular weight of 7-[beta-Hydroxy-gamma-(diisobutylamino)propyl]theophyline?
The molecular weight of 7-[beta-Hydroxy-gamma-(diisobutylamino)propyl]theophyline is 365.24 g/mol.
Where can I buy 7-[beta-Hydroxy-gamma-(diisobutylamino)propyl]theophyline?
You can request a quote for 7-[beta-Hydroxy-gamma-(diisobutylamino)propyl]theophyline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-[beta-Hydroxy-gamma-(diisobutylamino)propyl]theophyline?
Yes, KEHONG BIO provides custom synthesis services for 7-[beta-Hydroxy-gamma-(diisobutylamino)propyl]theophyline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.