ChemDiv2_006666
TL;DR: ChemDiv2_006666 (CAS 851938-83-5) is a chemical compound with molecular formula C26H29FN6O2 and molecular weight 476.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione
Also Known As: ChemDiv2_006666, IDI1_005381, 8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione, 8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C26H29FN6O2 |
|---|---|
| Molecular Weight | 476.23 g/mol |
| LogP | 2.25172 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 476.2336 |
| Heavy Atoms | 35 |
| Complexity | 1493.5385 |
Chemical Identifiers
| CAS Number | 851938-83-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C(=NC3=C2C(=O)N(C(=O)N3C)C)CN4CCN(CC4)C5=CC=C(C=C5)F |
Product Overview
ChemDiv2_006666 (CAS 851938-83-5), with molecular formula C26H29FN6O2 and molecular weight 476.23 g/mol. IUPAC: 8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione.
Chemical Property Profile of ChemDiv2_006666
Property Insights of ChemDiv2_006666
The XLogP value of 2.25172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_006666. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_006666. Following Lipinski's Rule of Five, ChemDiv2_006666 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_006666?
The CAS number of ChemDiv2_006666 is 851938-83-5.
What is the molecular formula of ChemDiv2_006666?
The molecular formula of ChemDiv2_006666 is C26H29FN6O2.
What is the molecular weight of ChemDiv2_006666?
The molecular weight of ChemDiv2_006666 is 476.23 g/mol.
Where can I buy ChemDiv2_006666?
You can request a quote for ChemDiv2_006666 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006666?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006666 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.