8-(1-Azepanyl)-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-(1-Azepanyl)-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 477333-77-0) is a chemical compound with molecular formula C21H27N5O2 and molecular weight 381.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(azepan-1-yl)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione
Also Known As: 8-(1-AZEPANYL)-1,3-DIMETHYL-7-(4-METHYLBENZYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, 8-(azepan-1-yl)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione, 8-(Azepan-1-yl)-1,3-dimethyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione, 8-(azepan-1-yl)-1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 651-068-9
| Molecular Formula | C21H27N5O2 |
|---|---|
| Molecular Weight | 381.22 g/mol |
| LogP | 2.17082 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.21646 |
| Heavy Atoms | 28 |
| Complexity | 1112.879 |
Chemical Identifiers
| CAS Number | 477333-77-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=C(N=C2N4CCCCCC4)N(C(=O)N(C3=O)C)C |
Product Overview
8-(1-Azepanyl)-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 477333-77-0), with molecular formula C21H27N5O2 and molecular weight 381.22 g/mol. IUPAC: 8-(azepan-1-yl)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione.
Chemical Property Profile of 8-(1-Azepanyl)-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-(1-Azepanyl)-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 2.17082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(1-Azepanyl)-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(1-Azepanyl)-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(1-Azepanyl)-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione has 0 hydrogen bond donor(s) and 4 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-(1-Azepanyl)-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-(1-Azepanyl)-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione is 477333-77-0.
What is the molecular formula of 8-(1-Azepanyl)-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-(1-Azepanyl)-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione is C21H27N5O2.
What is the molecular weight of 8-(1-Azepanyl)-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-(1-Azepanyl)-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione is 381.22 g/mol.
Where can I buy 8-(1-Azepanyl)-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-(1-Azepanyl)-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-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 8-(1-Azepanyl)-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(1-Azepanyl)-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.