ChemDiv2_006358
TL;DR: ChemDiv2_006358 (CAS 839682-29-0) is a chemical compound with molecular formula C28H34N6O2 and molecular weight 486.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione
Also Known As: ChemDiv2_006358, IDI1_005073, AB01304674-01, 8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C28H34N6O2 |
|---|---|
| Molecular Weight | 486.27 g/mol |
| LogP | 2.3843 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 486.27432 |
| Heavy Atoms | 36 |
| Complexity | 1430.4192 |
Chemical Identifiers
| CAS Number | 839682-29-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)CC4=CC=CC=C4)CCCC5=CC=CC=C5 |
Product Overview
ChemDiv2_006358 (CAS 839682-29-0), with molecular formula C28H34N6O2 and molecular weight 486.27 g/mol. IUPAC: 8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione.
Chemical Property Profile of ChemDiv2_006358
Property Insights of ChemDiv2_006358
The XLogP value of 2.3843 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_006358. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_006358. Following Lipinski's Rule of Five, ChemDiv2_006358 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 ChemDiv2_006358?
The CAS number of ChemDiv2_006358 is 839682-29-0.
What is the molecular formula of ChemDiv2_006358?
The molecular formula of ChemDiv2_006358 is C28H34N6O2.
What is the molecular weight of ChemDiv2_006358?
The molecular weight of ChemDiv2_006358 is 486.27 g/mol.
Where can I buy ChemDiv2_006358?
You can request a quote for ChemDiv2_006358 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006358?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006358 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.