8-(4-benzylpiperazin-1-yl)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(4-benzylpiperazin-1-yl)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 361174-98-3) is a chemical compound with molecular formula C22H30N6O2 and molecular weight 410.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-benzylpiperazin-1-yl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5835561:001, 8-(4-benzylpiperazin-1-yl)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione, BAS 03041363, F0886-0120, 8-(4-benzylpiperazin-1-yl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione
| Molecular Formula | C22H30N6O2 |
|---|---|
| Molecular Weight | 410.24 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 73.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.243 |
| Heavy Atoms | 30 |
| Complexity | 615.0 |
Chemical Identifiers
| CAS Number | 361174-98-3 |
|---|---|
| SMILES | CC(C)CCN1C2=C(N=C1N3CCN(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C |
| InChIKey | RWMLICWRQFFVOQ-UHFFFAOYSA-N |
Product Overview
8-(4-benzylpiperazin-1-yl)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 361174-98-3), with molecular formula C22H30N6O2 and molecular weight 410.24 g/mol. IUPAC: 8-(4-benzylpiperazin-1-yl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione.
Chemical Property Profile of 8-(4-benzylpiperazin-1-yl)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(4-benzylpiperazin-1-yl)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(4-benzylpiperazin-1-yl)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 73.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(4-benzylpiperazin-1-yl)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(4-benzylpiperazin-1-yl)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione has 1 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 8-(4-benzylpiperazin-1-yl)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(4-benzylpiperazin-1-yl)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione is 361174-98-3.
What is the molecular formula of 8-(4-benzylpiperazin-1-yl)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(4-benzylpiperazin-1-yl)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione is C22H30N6O2.
What is the molecular weight of 8-(4-benzylpiperazin-1-yl)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(4-benzylpiperazin-1-yl)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione is 410.24 g/mol.
Where can I buy 8-(4-benzylpiperazin-1-yl)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(4-benzylpiperazin-1-yl)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(4-benzylpiperazin-1-yl)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(4-benzylpiperazin-1-yl)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.