1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxy-3-(methyl(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino)propyl)-, monohydrochloride
TL;DR: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxy-3-(methyl(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino)propyl)-, monohydrochloride (CAS 98402-31-4) is a chemical compound with molecular formula C17H27ClN6O3 and molecular weight 398.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-hydroxy-3-[methyl(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]propyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
Also Known As: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxy-3-(methyl(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino)propyl)-, monohydrochloride, 7-[2-hydroxy-3-[methyl(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]propyl]-1,3-dimethylpurine-2,6-dione hydrochloride, 7-{2-Hydroxy-3-[methyl(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]propyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1), RefChem:239542
| Molecular Formula | C17H27ClN6O3 |
|---|---|
| Molecular Weight | 398.18 g/mol |
| LogP | 0.1207 |
| Topological Polar Surface Area | 97.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.18332 |
| Heavy Atoms | 27 |
| Complexity | 944.51746 |
Chemical Identifiers
| CAS Number | 98402-31-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)C3=NCCCCC3)O.Cl |
Product Overview
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxy-3-(methyl(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino)propyl)-, monohydrochloride (CAS 98402-31-4), with molecular formula C17H27ClN6O3 and molecular weight 398.18 g/mol. IUPAC: 7-[2-hydroxy-3-[methyl(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]propyl]-1,3-dimethylpurine-2,6-dione;hydrochloride.
Chemical Property Profile of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxy-3-(methyl(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino)propyl)-, monohydrochloride
Property Insights of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxy-3-(methyl(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino)propyl)-, monohydrochloride
The XLogP value of 0.1207 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxy-3-(methyl(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino)propyl)-, monohydrochloride. The TPSA of 97.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxy-3-(methyl(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino)propyl)-, monohydrochloride. Following Lipinski's Rule of Five, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxy-3-(methyl(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino)propyl)-, monohydrochloride has 1 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 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxy-3-(methyl(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino)propyl)-, monohydrochloride?
The CAS number of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxy-3-(methyl(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino)propyl)-, monohydrochloride is 98402-31-4.
What is the molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxy-3-(methyl(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino)propyl)-, monohydrochloride?
The molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxy-3-(methyl(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino)propyl)-, monohydrochloride is C17H27ClN6O3.
What is the molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxy-3-(methyl(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino)propyl)-, monohydrochloride?
The molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxy-3-(methyl(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino)propyl)-, monohydrochloride is 398.18 g/mol.
Where can I buy 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxy-3-(methyl(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino)propyl)-, monohydrochloride?
You can request a quote for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxy-3-(methyl(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino)propyl)-, monohydrochloride 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-7-(2-hydroxy-3-(methyl(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino)propyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxy-3-(methyl(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino)propyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.