Protheobromine
TL;DR: Protheobromine (CAS 50-39-5) is a chemical compound with molecular formula C10H14N4O3 and molecular weight 238.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-hydroxypropyl)-3,7-dimethylpurine-2,6-dione
Also Known As: Protheobromine, Cordabromin, Corodil, Bonicor, Protheobromin
| Molecular Formula | C10H14N4O3 |
|---|---|
| Molecular Weight | 238.11 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 78.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.1066 |
| Heavy Atoms | 17 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 50-39-5 |
|---|---|
| SMILES | CC(CN1C(=O)C2=C(N=CN2C)N(C1=O)C)O |
| InChIKey | MXRGZXBFSKSZPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Protheobromine (CAS 50-39-5), with molecular formula C10H14N4O3 and molecular weight 238.11 g/mol. IUPAC: 1-(2-hydroxypropyl)-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of Protheobromine
Property Insights of Protheobromine
The XLogP value of -0.3 indicates that Protheobromine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Protheobromine. Following Lipinski's Rule of Five, Protheobromine has 1 hydrogen bond donor(s) and 4 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 Protheobromine?
The CAS number of Protheobromine is 50-39-5.
What is the molecular formula of Protheobromine?
The molecular formula of Protheobromine is C10H14N4O3.
What is the molecular weight of Protheobromine?
The molecular weight of Protheobromine is 238.11 g/mol.
Where can I buy Protheobromine?
You can request a quote for Protheobromine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Protheobromine?
Yes, KEHONG BIO provides custom synthesis services for Protheobromine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.