Theophylline, 8,8'-ethylmethylenedi-
TL;DR: Theophylline, 8,8'-ethylmethylenedi- (CAS 73908-74-4) is a chemical compound with molecular formula C17H20N8O4 and molecular weight 400.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 8,8'-Ethylmethyleneditheophylline, Theophylline, 8,8'-ethylmethylenedi-, alpha-Ethyl-8,8'-ditheophyllinemethane, 8,8 -Propylidenebis[1,3-dimethyl-1H-purine-2,6(3H,7H)-dione], 8-[1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-1,3-dimethyl-7H-purine-2,6-dione
| Molecular Formula | C17H20N8O4 |
|---|---|
| Molecular Weight | 400.16 g/mol |
| LogP | -1.2241 |
| Topological Polar Surface Area | 145.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.16074 |
| Heavy Atoms | 29 |
| Complexity | 1410.0499 |
Chemical Identifiers
| CAS Number | 73908-74-4 |
|---|---|
| SMILES | CCC(C1=NC2=C(N1)C(=O)N(C(=O)N2C)C)C3=NC4=C(N3)C(=O)N(C(=O)N4C)C |
Product Overview
Theophylline, 8,8'-ethylmethylenedi- (CAS 73908-74-4), with molecular formula C17H20N8O4 and molecular weight 400.16 g/mol. IUPAC: 8-[1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of Theophylline, 8,8'-ethylmethylenedi-
Property Insights of Theophylline, 8,8'-ethylmethylenedi-
The XLogP value of -1.2241 indicates that Theophylline, 8,8'-ethylmethylenedi- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 145.36 Ų indicates high polarity, suggesting Theophylline, 8,8'-ethylmethylenedi- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Theophylline, 8,8'-ethylmethylenedi- 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 Theophylline, 8,8'-ethylmethylenedi-?
The CAS number of Theophylline, 8,8'-ethylmethylenedi- is 73908-74-4.
What is the molecular formula of Theophylline, 8,8'-ethylmethylenedi-?
The molecular formula of Theophylline, 8,8'-ethylmethylenedi- is C17H20N8O4.
What is the molecular weight of Theophylline, 8,8'-ethylmethylenedi-?
The molecular weight of Theophylline, 8,8'-ethylmethylenedi- is 400.16 g/mol.
Where can I buy Theophylline, 8,8'-ethylmethylenedi-?
You can request a quote for Theophylline, 8,8'-ethylmethylenedi- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theophylline, 8,8'-ethylmethylenedi-?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 8,8'-ethylmethylenedi- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.