Theophylline, 7-(3-(dibutylamino)-2-hydroxypropyl)-
TL;DR: Theophylline, 7-(3-(dibutylamino)-2-hydroxypropyl)- (CAS 5047-75-6) 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-(dibutylamino)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 7-(3-(Dibutylamino)-2-hydroxypropyl)theophylline, Theophylline, 7-(3-(dibutylamino)-2-hydroxypropyl)-, 5-26-14-00052 (Beilstein Handbook Reference), 7-<2-Hydroxy-3-dibutylamino-propyl>-theophyllin, 1H-Purine-2,6-dione, 7-(3-(dibutylamino)-2-hydroxypropyl)-3,7-dihydro-1,3-dimethyl-
| Molecular Formula | C18H31N5O3 |
|---|---|
| Molecular Weight | 365.24 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 81.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 365.24268 |
| Heavy Atoms | 26 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 5047-75-6 |
|---|---|
| SMILES | CCCCN(CCCC)CC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O |
| InChIKey | ZDVAMNZVNAKAFM-UHFFFAOYSA-N |
Product Overview
Theophylline, 7-(3-(dibutylamino)-2-hydroxypropyl)- (CAS 5047-75-6), with molecular formula C18H31N5O3 and molecular weight 365.24 g/mol. IUPAC: 7-[3-(dibutylamino)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of Theophylline, 7-(3-(dibutylamino)-2-hydroxypropyl)-
Property Insights of Theophylline, 7-(3-(dibutylamino)-2-hydroxypropyl)-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Theophylline, 7-(3-(dibutylamino)-2-hydroxypropyl)-. The TPSA of 81.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 7-(3-(dibutylamino)-2-hydroxypropyl)-. Following Lipinski's Rule of Five, Theophylline, 7-(3-(dibutylamino)-2-hydroxypropyl)- 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 Theophylline, 7-(3-(dibutylamino)-2-hydroxypropyl)-?
The CAS number of Theophylline, 7-(3-(dibutylamino)-2-hydroxypropyl)- is 5047-75-6.
What is the molecular formula of Theophylline, 7-(3-(dibutylamino)-2-hydroxypropyl)-?
The molecular formula of Theophylline, 7-(3-(dibutylamino)-2-hydroxypropyl)- is C18H31N5O3.
What is the molecular weight of Theophylline, 7-(3-(dibutylamino)-2-hydroxypropyl)-?
The molecular weight of Theophylline, 7-(3-(dibutylamino)-2-hydroxypropyl)- is 365.24 g/mol.
Where can I buy Theophylline, 7-(3-(dibutylamino)-2-hydroxypropyl)-?
You can request a quote for Theophylline, 7-(3-(dibutylamino)-2-hydroxypropyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theophylline, 7-(3-(dibutylamino)-2-hydroxypropyl)-?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 7-(3-(dibutylamino)-2-hydroxypropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.