7-Propyltheophylline dopamine
TL;DR: 7-Propyltheophylline dopamine (CAS 71201-33-7) is a chemical compound with molecular formula C18H23N5O4 and molecular weight 373.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-[2-(3,4-dihydroxyphenyl)ethylamino]propyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 7-Propyltheophylline dopamine, D 4975, D-4975, 1H-Purine-2,6-dione, 7-(3-((2-(3,4-dihydroxyphenyl)ethyl)amino)propyl)-3,7-dihydro-1,3-dimethyl-, 7-[3-[2-(3,4-dihydroxyphenyl)ethylamino]propyl]-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C18H23N5O4 |
|---|---|
| Molecular Weight | 373.18 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 373.17502 |
| Heavy Atoms | 27 |
| Complexity | 548.0 |
Chemical Identifiers
| CAS Number | 71201-33-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNCCC3=CC(=C(C=C3)O)O |
| InChIKey | PTKBXZQSYDMMLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Propyltheophylline dopamine (CAS 71201-33-7), with molecular formula C18H23N5O4 and molecular weight 373.18 g/mol. IUPAC: 7-[3-[2-(3,4-dihydroxyphenyl)ethylamino]propyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-Propyltheophylline dopamine
Property Insights of 7-Propyltheophylline dopamine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Propyltheophylline dopamine. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Propyltheophylline dopamine. Following Lipinski's Rule of Five, 7-Propyltheophylline dopamine 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-Propyltheophylline dopamine?
The CAS number of 7-Propyltheophylline dopamine is 71201-33-7.
What is the molecular formula of 7-Propyltheophylline dopamine?
The molecular formula of 7-Propyltheophylline dopamine is C18H23N5O4.
What is the molecular weight of 7-Propyltheophylline dopamine?
The molecular weight of 7-Propyltheophylline dopamine is 373.18 g/mol.
Where can I buy 7-Propyltheophylline dopamine?
You can request a quote for 7-Propyltheophylline dopamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Propyltheophylline dopamine?
Yes, KEHONG BIO provides custom synthesis services for 7-Propyltheophylline dopamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.