1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-iodo-
TL;DR: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-iodo- (CAS 24255-56-9) is a chemical compound with molecular formula C7H7IN4O2 and molecular weight 305.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-iodo-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 8-Iodotheophylline, Theophylline, 8-iodo-, NCIOpen2_008873, 8-iodo-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione, 8-iodo-1,3-dimethyl-7H-purine-2,6-dione
| Molecular Formula | C7H7IN4O2 |
|---|---|
| Molecular Weight | 305.96 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 305.96136 |
| Heavy Atoms | 14 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 24255-56-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)I |
| InChIKey | LQDFDEBMWZCIKY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-iodo- (CAS 24255-56-9), with molecular formula C7H7IN4O2 and molecular weight 305.96 g/mol. IUPAC: 8-iodo-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-iodo-
Property Insights of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-iodo-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-iodo-. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-iodo-. Following Lipinski's Rule of Five, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-iodo- has 1 hydrogen bond donor(s) and 3 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 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-iodo-?
The CAS number of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-iodo- is 24255-56-9.
What is the molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-iodo-?
The molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-iodo- is C7H7IN4O2.
What is the molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-iodo-?
The molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-iodo- is 305.96 g/mol.
Where can I buy 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-iodo-?
You can request a quote for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-iodo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-iodo-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-iodo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.