7,7'-Succinylditheophylline
TL;DR: 7,7'-Succinylditheophylline (CAS 58447-25-9) is a chemical compound with molecular formula C18H18N8O6 and molecular weight 442.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-4-oxobutanoyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 7,7'-Succinylditheophylline, 1H-Purine-2,6-dione, 7,7'-(1,4-dioxo-1,4-butanediyl)bis(3,7-dihydro-1,3-dimethyl-, 2-ethyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol,iodide, 7-[4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-4-oxobutanoyl]-1,3-dimethylpurine-2,6-dione, 7,7'-(1,4-Dioxobutane-1,4-diyl)bis(1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione)
| Molecular Formula | C18H18N8O6 |
|---|---|
| Molecular Weight | 442.13 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 442.13492 |
| Heavy Atoms | 32 |
| Complexity | 838.0 |
Chemical Identifiers
| CAS Number | 58447-25-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C(=O)CCC(=O)N3C=NC4=C3C(=O)N(C(=O)N4C)C |
| InChIKey | OMCYDEROGWIKOQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7,7'-Succinylditheophylline (CAS 58447-25-9), with molecular formula C18H18N8O6 and molecular weight 442.13 g/mol. IUPAC: 7-[4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-4-oxobutanoyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7,7'-Succinylditheophylline
Property Insights of 7,7'-Succinylditheophylline
The XLogP value of -1.5 indicates that 7,7'-Succinylditheophylline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 151.0 Ų indicates high polarity, suggesting 7,7'-Succinylditheophylline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7,7'-Succinylditheophylline has 0 hydrogen bond donor(s) and 8 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 7,7'-Succinylditheophylline?
The CAS number of 7,7'-Succinylditheophylline is 58447-25-9.
What is the molecular formula of 7,7'-Succinylditheophylline?
The molecular formula of 7,7'-Succinylditheophylline is C18H18N8O6.
What is the molecular weight of 7,7'-Succinylditheophylline?
The molecular weight of 7,7'-Succinylditheophylline is 442.13 g/mol.
Where can I buy 7,7'-Succinylditheophylline?
You can request a quote for 7,7'-Succinylditheophylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,7'-Succinylditheophylline?
Yes, KEHONG BIO provides custom synthesis services for 7,7'-Succinylditheophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.