8,8'-Propane-1,3-diylbis(1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione)
TL;DR: 8,8'-Propane-1,3-diylbis(1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione) (CAS 38975-83-6) 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-[3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 1,3-Bis(8-theophylline)propane, 1,3-bis(theophyllin-8-yl)propane, Theophylline, 8,8'-trimethylenedi-, Theophylline (8CI),8'-trimethylenedi-, 8,3-dimethylpurine-2,6(1H,3H)-dione
| Molecular Formula | C17H20N8O4 |
|---|---|
| Molecular Weight | 400.16 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.16074 |
| Heavy Atoms | 29 |
| Complexity | 687.0 |
Chemical Identifiers
| CAS Number | 38975-83-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCCC3=NC4=C(N3)C(=O)N(C(=O)N4C)C |
| InChIKey | UHILXWREAWPVNW-UHFFFAOYSA-N |
Product Overview
8,8'-Propane-1,3-diylbis(1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione) (CAS 38975-83-6), with molecular formula C17H20N8O4 and molecular weight 400.16 g/mol. IUPAC: 8-[3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of 8,8'-Propane-1,3-diylbis(1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione)
Property Insights of 8,8'-Propane-1,3-diylbis(1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione)
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8,8'-Propane-1,3-diylbis(1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione). The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 8,8'-Propane-1,3-diylbis(1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione). Following Lipinski's Rule of Five, 8,8'-Propane-1,3-diylbis(1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione) 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'-Propane-1,3-diylbis(1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione)?
The CAS number of 8,8'-Propane-1,3-diylbis(1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione) is 38975-83-6.
What is the molecular formula of 8,8'-Propane-1,3-diylbis(1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione)?
The molecular formula of 8,8'-Propane-1,3-diylbis(1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione) is C17H20N8O4.
What is the molecular weight of 8,8'-Propane-1,3-diylbis(1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione)?
The molecular weight of 8,8'-Propane-1,3-diylbis(1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione) is 400.16 g/mol.
Where can I buy 8,8'-Propane-1,3-diylbis(1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione)?
You can request a quote for 8,8'-Propane-1,3-diylbis(1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8,8'-Propane-1,3-diylbis(1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione)?
Yes, KEHONG BIO provides custom synthesis services for 8,8'-Propane-1,3-diylbis(1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.