7-(2,3-Dihydroxypropyl)-8-butylaminotheophylline
TL;DR: 7-(2,3-Dihydroxypropyl)-8-butylaminotheophylline (CAS 111038-28-9) is a chemical compound with molecular formula C14H23N5O4 and molecular weight 325.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(butylamino)-7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione
Also Known As: 7-(2,3-Dihydroxypropyl)-8-butylaminotheophylline, 1H-Purine-2,6-dione, 3,7-dihydro-8-(butylamino)-7-(2,3-dihydroxypropyl)-1,3-dimethyl-, 3,7-Dihydro-8-(butylamino)-7-(2,3-dihydroxypropyl)-1,3-dimethyl-1H-purine-2,6-dione, 8-(butylamino)-7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione, 1H-Purine-2,6-dione,8-(butylamino)-7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-
| Molecular Formula | C14H23N5O4 |
|---|---|
| Molecular Weight | 325.18 g/mol |
| LogP | -1.0011 |
| Topological Polar Surface Area | 114.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 325.17502 |
| Heavy Atoms | 23 |
| Complexity | 804.0712 |
Chemical Identifiers
| CAS Number | 111038-28-9 |
|---|---|
| SMILES | CCCCNC1=NC2=C(N1CC(CO)O)C(=O)N(C(=O)N2C)C |
Product Overview
7-(2,3-Dihydroxypropyl)-8-butylaminotheophylline (CAS 111038-28-9), with molecular formula C14H23N5O4 and molecular weight 325.18 g/mol. IUPAC: 8-(butylamino)-7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-(2,3-Dihydroxypropyl)-8-butylaminotheophylline
Property Insights of 7-(2,3-Dihydroxypropyl)-8-butylaminotheophylline
The XLogP value of -1.0011 indicates that 7-(2,3-Dihydroxypropyl)-8-butylaminotheophylline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2,3-Dihydroxypropyl)-8-butylaminotheophylline. Following Lipinski's Rule of Five, 7-(2,3-Dihydroxypropyl)-8-butylaminotheophylline 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 7-(2,3-Dihydroxypropyl)-8-butylaminotheophylline?
The CAS number of 7-(2,3-Dihydroxypropyl)-8-butylaminotheophylline is 111038-28-9.
What is the molecular formula of 7-(2,3-Dihydroxypropyl)-8-butylaminotheophylline?
The molecular formula of 7-(2,3-Dihydroxypropyl)-8-butylaminotheophylline is C14H23N5O4.
What is the molecular weight of 7-(2,3-Dihydroxypropyl)-8-butylaminotheophylline?
The molecular weight of 7-(2,3-Dihydroxypropyl)-8-butylaminotheophylline is 325.18 g/mol.
Where can I buy 7-(2,3-Dihydroxypropyl)-8-butylaminotheophylline?
You can request a quote for 7-(2,3-Dihydroxypropyl)-8-butylaminotheophylline 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-Dihydroxypropyl)-8-butylaminotheophylline?
Yes, KEHONG BIO provides custom synthesis services for 7-(2,3-Dihydroxypropyl)-8-butylaminotheophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.