1H-Purine-2,6-dione, 3,7-dihydro-7-(3-((3,4-dihydro-2H-pyrrol-5-yl)(2-hydroxyethyl)amino)-2-hydroxypropyl)-1,3-dimethyl-, monohydrochloride, monohydrate
TL;DR: 1H-Purine-2,6-dione, 3,7-dihydro-7-(3-((3,4-dihydro-2H-pyrrol-5-yl)(2-hydroxyethyl)amino)-2-hydroxypropyl)-1,3-dimethyl-, monohydrochloride, monohydrate (CAS 98402-32-5) is a chemical compound with molecular formula C16H25ClN6O4 and molecular weight 400.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-[3,4-dihydro-2H-pyrrol-5-yl(2-hydroxyethyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
Also Known As: 1H-Purine-2,6-dione, 3,7-dihydro-7-(3-((3,4-dihydro-2H-pyrrol-5-yl)(2-hydroxyethyl)amino)-2-hydroxypropyl)-1,3-dimethyl-, monohydrochloride, monohydrate, 7-[3-[3,4-dihydro-2H-pyrrol-5-yl(2-hydroxyethyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione hydrochloride, 7-{3-[(3,4-Dihydro-2H-pyrrol-5-yl)(2-hydroxyethyl)amino]-2-hydroxypropyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1), RefChem:239627
| Molecular Formula | C16H25ClN6O4 |
|---|---|
| Molecular Weight | 400.16 g/mol |
| LogP | -1.297 |
| Topological Polar Surface Area | 117.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.16257 |
| Heavy Atoms | 27 |
| Complexity | 946.7592 |
Chemical Identifiers
| CAS Number | 98402-32-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(CCO)C3=NCCC3)O.Cl |
Product Overview
1H-Purine-2,6-dione, 3,7-dihydro-7-(3-((3,4-dihydro-2H-pyrrol-5-yl)(2-hydroxyethyl)amino)-2-hydroxypropyl)-1,3-dimethyl-, monohydrochloride, monohydrate (CAS 98402-32-5), with molecular formula C16H25ClN6O4 and molecular weight 400.16 g/mol. IUPAC: 7-[3-[3,4-dihydro-2H-pyrrol-5-yl(2-hydroxyethyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione;hydrochloride.
Chemical Property Profile of 1H-Purine-2,6-dione, 3,7-dihydro-7-(3-((3,4-dihydro-2H-pyrrol-5-yl)(2-hydroxyethyl)amino)-2-hydroxypropyl)-1,3-dimethyl-, monohydrochloride, monohydrate
Property Insights of 1H-Purine-2,6-dione, 3,7-dihydro-7-(3-((3,4-dihydro-2H-pyrrol-5-yl)(2-hydroxyethyl)amino)-2-hydroxypropyl)-1,3-dimethyl-, monohydrochloride, monohydrate
The XLogP value of -1.297 indicates that 1H-Purine-2,6-dione, 3,7-dihydro-7-(3-((3,4-dihydro-2H-pyrrol-5-yl)(2-hydroxyethyl)amino)-2-hydroxypropyl)-1,3-dimethyl-, monohydrochloride, monohydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Purine-2,6-dione, 3,7-dihydro-7-(3-((3,4-dihydro-2H-pyrrol-5-yl)(2-hydroxyethyl)amino)-2-hydroxypropyl)-1,3-dimethyl-, monohydrochloride, monohydrate. Following Lipinski's Rule of Five, 1H-Purine-2,6-dione, 3,7-dihydro-7-(3-((3,4-dihydro-2H-pyrrol-5-yl)(2-hydroxyethyl)amino)-2-hydroxypropyl)-1,3-dimethyl-, monohydrochloride, monohydrate has 2 hydrogen bond donor(s) and 7 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-7-(3-((3,4-dihydro-2H-pyrrol-5-yl)(2-hydroxyethyl)amino)-2-hydroxypropyl)-1,3-dimethyl-, monohydrochloride, monohydrate?
The CAS number of 1H-Purine-2,6-dione, 3,7-dihydro-7-(3-((3,4-dihydro-2H-pyrrol-5-yl)(2-hydroxyethyl)amino)-2-hydroxypropyl)-1,3-dimethyl-, monohydrochloride, monohydrate is 98402-32-5.
What is the molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-7-(3-((3,4-dihydro-2H-pyrrol-5-yl)(2-hydroxyethyl)amino)-2-hydroxypropyl)-1,3-dimethyl-, monohydrochloride, monohydrate?
The molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-7-(3-((3,4-dihydro-2H-pyrrol-5-yl)(2-hydroxyethyl)amino)-2-hydroxypropyl)-1,3-dimethyl-, monohydrochloride, monohydrate is C16H25ClN6O4.
What is the molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-7-(3-((3,4-dihydro-2H-pyrrol-5-yl)(2-hydroxyethyl)amino)-2-hydroxypropyl)-1,3-dimethyl-, monohydrochloride, monohydrate?
The molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-7-(3-((3,4-dihydro-2H-pyrrol-5-yl)(2-hydroxyethyl)amino)-2-hydroxypropyl)-1,3-dimethyl-, monohydrochloride, monohydrate is 400.16 g/mol.
Where can I buy 1H-Purine-2,6-dione, 3,7-dihydro-7-(3-((3,4-dihydro-2H-pyrrol-5-yl)(2-hydroxyethyl)amino)-2-hydroxypropyl)-1,3-dimethyl-, monohydrochloride, monohydrate?
You can request a quote for 1H-Purine-2,6-dione, 3,7-dihydro-7-(3-((3,4-dihydro-2H-pyrrol-5-yl)(2-hydroxyethyl)amino)-2-hydroxypropyl)-1,3-dimethyl-, monohydrochloride, monohydrate 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-7-(3-((3,4-dihydro-2H-pyrrol-5-yl)(2-hydroxyethyl)amino)-2-hydroxypropyl)-1,3-dimethyl-, monohydrochloride, monohydrate?
Yes, KEHONG BIO provides custom synthesis services for 1H-Purine-2,6-dione, 3,7-dihydro-7-(3-((3,4-dihydro-2H-pyrrol-5-yl)(2-hydroxyethyl)amino)-2-hydroxypropyl)-1,3-dimethyl-, monohydrochloride, monohydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.