8,8'-Ethyleneditheophylline
TL;DR: 8,8'-Ethyleneditheophylline (CAS 1784-67-4) is a chemical compound with molecular formula C16H18N8O4 and molecular weight 386.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)ethyl]-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 8,8'-Ethylenebistheophylline, Theophylline, 8,8'-ethylenebis-, 8,8'-Ethyleneditheophylline, 8,8/'-Ethylenebistheophyline, 8,8'-Dimethylene-bis-theophylline
| Molecular Formula | C16H18N8O4 |
|---|---|
| Molecular Weight | 386.15 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.1451 |
| Heavy Atoms | 28 |
| Complexity | 671.0 |
Chemical Identifiers
| CAS Number | 1784-67-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCC3=NC4=C(N3)C(=O)N(C(=O)N4C)C |
| InChIKey | AZDQOGJHRRZXFQ-UHFFFAOYSA-N |
Product Overview
8,8'-Ethyleneditheophylline (CAS 1784-67-4), with molecular formula C16H18N8O4 and molecular weight 386.15 g/mol. IUPAC: 8-[2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)ethyl]-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of 8,8'-Ethyleneditheophylline
Property Insights of 8,8'-Ethyleneditheophylline
The XLogP value of -0.4 indicates that 8,8'-Ethyleneditheophylline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 8,8'-Ethyleneditheophylline. Following Lipinski's Rule of Five, 8,8'-Ethyleneditheophylline has 2 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 8,8'-Ethyleneditheophylline?
The CAS number of 8,8'-Ethyleneditheophylline is 1784-67-4.
What is the molecular formula of 8,8'-Ethyleneditheophylline?
The molecular formula of 8,8'-Ethyleneditheophylline is C16H18N8O4.
What is the molecular weight of 8,8'-Ethyleneditheophylline?
The molecular weight of 8,8'-Ethyleneditheophylline is 386.15 g/mol.
Where can I buy 8,8'-Ethyleneditheophylline?
You can request a quote for 8,8'-Ethyleneditheophylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8,8'-Ethyleneditheophylline?
Yes, KEHONG BIO provides custom synthesis services for 8,8'-Ethyleneditheophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.