7-(2-(1-Methyl-2-phenyl-ethylamino)propyl)theophylline
TL;DR: 7-(2-(1-Methyl-2-phenyl-ethylamino)propyl)theophylline (CAS 133563-07-2) is a chemical compound with molecular formula C19H25N5O2 and molecular weight 355.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-[2-[methyl(1-phenylpropan-2-yl)amino]ethyl]purine-2,6-dione
Also Known As: Mpeapt, 7-(2-(1-Methyl-2-phenyl-ethylamino)propyl)theophylline, 1,3-dimethyl-7-[2-[methyl(1-phenylpropan-2-yl)amino]ethyl]purine-2,6-dione, 1,3-dimethyl-7-[2-(1-phenylpropan-2-ylamino)propyl]purine-2,6-dione, 7-
| Molecular Formula | C19H25N5O2 |
|---|---|
| Molecular Weight | 355.20 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 61.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 355.20084 |
| Heavy Atoms | 26 |
| Complexity | 522.0 |
Chemical Identifiers
| CAS Number | 133563-07-2 |
|---|---|
| SMILES | CC(CC1=CC=CC=C1)N(C)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C |
| InChIKey | DKIROGYOHNAOAH-UHFFFAOYSA-N |
Product Overview
7-(2-(1-Methyl-2-phenyl-ethylamino)propyl)theophylline (CAS 133563-07-2), with molecular formula C19H25N5O2 and molecular weight 355.20 g/mol. IUPAC: 1,3-dimethyl-7-[2-[methyl(1-phenylpropan-2-yl)amino]ethyl]purine-2,6-dione.
Chemical Property Profile of 7-(2-(1-Methyl-2-phenyl-ethylamino)propyl)theophylline
Property Insights of 7-(2-(1-Methyl-2-phenyl-ethylamino)propyl)theophylline
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-(1-Methyl-2-phenyl-ethylamino)propyl)theophylline. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-(1-Methyl-2-phenyl-ethylamino)propyl)theophylline. Following Lipinski's Rule of Five, 7-(2-(1-Methyl-2-phenyl-ethylamino)propyl)theophylline has 0 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 7-(2-(1-Methyl-2-phenyl-ethylamino)propyl)theophylline?
The CAS number of 7-(2-(1-Methyl-2-phenyl-ethylamino)propyl)theophylline is 133563-07-2.
What is the molecular formula of 7-(2-(1-Methyl-2-phenyl-ethylamino)propyl)theophylline?
The molecular formula of 7-(2-(1-Methyl-2-phenyl-ethylamino)propyl)theophylline is C19H25N5O2.
What is the molecular weight of 7-(2-(1-Methyl-2-phenyl-ethylamino)propyl)theophylline?
The molecular weight of 7-(2-(1-Methyl-2-phenyl-ethylamino)propyl)theophylline is 355.20 g/mol.
Where can I buy 7-(2-(1-Methyl-2-phenyl-ethylamino)propyl)theophylline?
You can request a quote for 7-(2-(1-Methyl-2-phenyl-ethylamino)propyl)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-(1-Methyl-2-phenyl-ethylamino)propyl)theophylline?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-(1-Methyl-2-phenyl-ethylamino)propyl)theophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.