![1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione structure](/static/products/838/838896-05-2.png)
1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
TL;DR: 1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 838896-05-2) is a chemical compound with molecular formula C27H32N6O2 and molecular weight 472.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-7-(3-phenylpropyl)purine-2,6-dione
Also Known As: 1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-7-(3-phenylpropyl)purine-2,6-dione, 1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione, 1,3-dimethyl-8-((4-phenylpiperazin-1-yl)methyl)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione, 1,3-dimethyl-8-[(4-phenylpiperazinyl)methyl]-7-(3-phenylpropyl)-1,3,7-trihydro purine-2,6-dione
| Molecular Formula | C27H32N6O2 |
|---|---|
| Molecular Weight | 472.26 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 472.25867 |
| Heavy Atoms | 35 |
| Complexity | 729.0 |
Chemical Identifiers
| CAS Number | 838896-05-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC=CC=C4)CCCC5=CC=CC=C5 |
| InChIKey | HLFBKRVBTHWJPL-UHFFFAOYSA-N |
Product Overview
1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 838896-05-2), with molecular formula C27H32N6O2 and molecular weight 472.26 g/mol. IUPAC: 1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-7-(3-phenylpropyl)purine-2,6-dione.
Chemical Property Profile of 1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Property Insights of 1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
The XLogP value of 3.3 indicates that 1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione has 0 hydrogen bond donor(s) and 5 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-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The CAS number of 1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 838896-05-2.
What is the molecular formula of 1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular formula of 1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione is C27H32N6O2.
What is the molecular weight of 1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular weight of 1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 472.26 g/mol.
Where can I buy 1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
You can request a quote for 1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-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-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.