C692-0038
TL;DR: C692-0038 (CAS 847407-32-3) is a chemical compound with molecular formula C19H23ClN6O2 and molecular weight 402.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-7-ethyl-3-methylpurine-2,6-dione
Also Known As: C692-0038, 8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-7-ethyl-3-methyl-purine-2,6-dione, 8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-7-ethyl-3-methylpurine-2,6-dione, 8-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-7-ethyl-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-{[4-(3-CHLOROPHENYL)PIPERAZIN-1-YL]METHYL}-7-ETHYL-3-METHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C19H23ClN6O2 |
|---|---|
| Molecular Weight | 402.16 g/mol |
| LogP | 1.4188 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.1571 |
| Heavy Atoms | 28 |
| Complexity | 1123.6348 |
Chemical Identifiers
| CAS Number | 847407-32-3 |
|---|---|
| SMILES | CCN1C(=NC2=C1C(=O)NC(=O)N2C)CN3CCN(CC3)C4=CC(=CC=C4)Cl |
Product Overview
C692-0038 (CAS 847407-32-3), with molecular formula C19H23ClN6O2 and molecular weight 402.16 g/mol. IUPAC: 8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-7-ethyl-3-methylpurine-2,6-dione.
Chemical Property Profile of C692-0038
Property Insights of C692-0038
The XLogP value of 1.4188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C692-0038. The TPSA of 79.16 Ų falls within the moderate polarity range, balancing permeability and solubility for C692-0038. Following Lipinski's Rule of Five, C692-0038 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 C692-0038?
The CAS number of C692-0038 is 847407-32-3.
What is the molecular formula of C692-0038?
The molecular formula of C692-0038 is C19H23ClN6O2.
What is the molecular weight of C692-0038?
The molecular weight of C692-0038 is 402.16 g/mol.
Where can I buy C692-0038?
You can request a quote for C692-0038 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C692-0038?
Yes, KEHONG BIO provides custom synthesis services for C692-0038 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.