![7-(3-chloro-2-hydroxy-propyl)-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione structure](/static/products/870/87080-29-3.png)
7-(3-chloro-2-hydroxy-propyl)-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione
TL;DR: 7-(3-chloro-2-hydroxy-propyl)-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione (CAS 87080-29-3) 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-chloro-2-hydroxypropyl)-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethylpurine-2,6-dione
Also Known As: 7-(3-chloro-2-hydroxy-propyl)-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione, 7-(3-Chloro-2-hydroxypropyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-(3-chloro-2-hydroxypropyl)-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-(3-Chloro-2-hydroxypropyl)-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-(3-chloro-2-hydroxypropyl)-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C16H25ClN6O4 |
|---|---|
| Molecular Weight | 400.16 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.16257 |
| Heavy Atoms | 27 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 87080-29-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)CCO)CC(CCl)O |
| InChIKey | DWUPHFGYLVVKED-UHFFFAOYSA-N |
Product Overview
7-(3-chloro-2-hydroxy-propyl)-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione (CAS 87080-29-3), with molecular formula C16H25ClN6O4 and molecular weight 400.16 g/mol. IUPAC: 7-(3-chloro-2-hydroxypropyl)-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-(3-chloro-2-hydroxy-propyl)-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione
Property Insights of 7-(3-chloro-2-hydroxy-propyl)-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione
The XLogP value of -0.9 indicates that 7-(3-chloro-2-hydroxy-propyl)-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3-chloro-2-hydroxy-propyl)-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione. Following Lipinski's Rule of Five, 7-(3-chloro-2-hydroxy-propyl)-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione 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 7-(3-chloro-2-hydroxy-propyl)-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione?
The CAS number of 7-(3-chloro-2-hydroxy-propyl)-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione is 87080-29-3.
What is the molecular formula of 7-(3-chloro-2-hydroxy-propyl)-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione?
The molecular formula of 7-(3-chloro-2-hydroxy-propyl)-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione is C16H25ClN6O4.
What is the molecular weight of 7-(3-chloro-2-hydroxy-propyl)-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione?
The molecular weight of 7-(3-chloro-2-hydroxy-propyl)-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione is 400.16 g/mol.
Where can I buy 7-(3-chloro-2-hydroxy-propyl)-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione?
You can request a quote for 7-(3-chloro-2-hydroxy-propyl)-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-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 7-(3-chloro-2-hydroxy-propyl)-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(3-chloro-2-hydroxy-propyl)-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.