1-(3-Hydroxypropyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 1-(3-Hydroxypropyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 59413-14-8) 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-(3-hydroxypropyl)-3,7-dimethylpurine-2,6-dione
Also Known As: gamma-Otb, 1-(3-Hydroxypropyl)theobromine, Pentoxifylline EP Impurity D, gamma-Oxypropyltheobromin, hydroxypropyltheobromine
| Molecular Formula | C10H14N4O3 |
|---|---|
| Molecular Weight | 238.11 g/mol |
| LogP | -1.1839 |
| Topological Polar Surface Area | 82.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.1066 |
| Heavy Atoms | 17 |
| Complexity | 664.46643 |
Chemical Identifiers
| CAS Number | 59413-14-8 |
|---|---|
| SMILES | CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCO |
Product Overview
1-(3-Hydroxypropyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 59413-14-8), with molecular formula C10H14N4O3 and molecular weight 238.11 g/mol. IUPAC: 1-(3-hydroxypropyl)-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of 1-(3-Hydroxypropyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 1-(3-Hydroxypropyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of -1.1839 indicates that 1-(3-Hydroxypropyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Hydroxypropyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 1-(3-Hydroxypropyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione 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 1-(3-Hydroxypropyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 1-(3-Hydroxypropyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 59413-14-8.
What is the molecular formula of 1-(3-Hydroxypropyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 1-(3-Hydroxypropyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione is C10H14N4O3.
What is the molecular weight of 1-(3-Hydroxypropyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 1-(3-Hydroxypropyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 238.11 g/mol.
Where can I buy 1-(3-Hydroxypropyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 1-(3-Hydroxypropyl)-3,7-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 1-(3-Hydroxypropyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Hydroxypropyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.