Theophylline, 7-(3-((3,4-dihydroxybenzoylmethyl)amino)propyl)-
TL;DR: Theophylline, 7-(3-((3,4-dihydroxybenzoylmethyl)amino)propyl)- (CAS 62402-12-4) is a chemical compound with molecular formula C18H21N5O5 and molecular weight 387.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]amino]propyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 7-(3-((3,4-Dihydroxybenzoylmethyl)amino)propyl)theophylline, 5-26-14-00027 (Beilstein Handbook Reference), Theophylline, 7-(3-((3,4-dihydroxybenzoylmethyl)amino)propyl)-, 7-(3-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]amino}propyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-[3-[(3,4-Dihydroxyphenylcarbonylmethyl)amino]propyl]theophyline
| Molecular Formula | C18H21N5O5 |
|---|---|
| Molecular Weight | 387.15 g/mol |
| LogP | -0.2925 |
| Topological Polar Surface Area | 131.38 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 387.15427 |
| Heavy Atoms | 28 |
| Complexity | 1157.6083 |
Chemical Identifiers
| CAS Number | 62402-12-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNCC(=O)C3=CC(=C(C=C3)O)O |
Product Overview
Theophylline, 7-(3-((3,4-dihydroxybenzoylmethyl)amino)propyl)- (CAS 62402-12-4), with molecular formula C18H21N5O5 and molecular weight 387.15 g/mol. IUPAC: 7-[3-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]amino]propyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of Theophylline, 7-(3-((3,4-dihydroxybenzoylmethyl)amino)propyl)-
Property Insights of Theophylline, 7-(3-((3,4-dihydroxybenzoylmethyl)amino)propyl)-
The XLogP value of -0.2925 indicates that Theophylline, 7-(3-((3,4-dihydroxybenzoylmethyl)amino)propyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 131.38 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 7-(3-((3,4-dihydroxybenzoylmethyl)amino)propyl)-. Following Lipinski's Rule of Five, Theophylline, 7-(3-((3,4-dihydroxybenzoylmethyl)amino)propyl)- has 3 hydrogen bond donor(s) and 7 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-((3,4-dihydroxybenzoylmethyl)amino)propyl)-?
The CAS number of Theophylline, 7-(3-((3,4-dihydroxybenzoylmethyl)amino)propyl)- is 62402-12-4.
What is the molecular formula of Theophylline, 7-(3-((3,4-dihydroxybenzoylmethyl)amino)propyl)-?
The molecular formula of Theophylline, 7-(3-((3,4-dihydroxybenzoylmethyl)amino)propyl)- is C18H21N5O5.
What is the molecular weight of Theophylline, 7-(3-((3,4-dihydroxybenzoylmethyl)amino)propyl)-?
The molecular weight of Theophylline, 7-(3-((3,4-dihydroxybenzoylmethyl)amino)propyl)- is 387.15 g/mol.
Where can I buy Theophylline, 7-(3-((3,4-dihydroxybenzoylmethyl)amino)propyl)-?
You can request a quote for Theophylline, 7-(3-((3,4-dihydroxybenzoylmethyl)amino)propyl)- 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-((3,4-dihydroxybenzoylmethyl)amino)propyl)-?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 7-(3-((3,4-dihydroxybenzoylmethyl)amino)propyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.