C23H21N7O5S
TL;DR: C23H21N7O5S (CAS 107608-61-7) is a chemical compound with molecular formula C23H21N7O5S and molecular weight 507.13248 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-methyl-2,6-dioxo-7-(2-phenylethyl)purin-8-yl]sulfanyl-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
Also Known As: (E)-2-((3-methyl-2,6-dioxo-7-phenethyl-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N'-(4-nitrobenzylidene)acetohydrazide, 2-(3-methyl-2,6-dioxo-7-phenethyl-purin-8-yl)sulfanyl-N-[(4-nitrophenyl)methylideneamino]acetamide, 2-{[6-hydroxy-3-methyl-2-oxo-7-(2-phenylethyl)-3,7-dihydro-2H-purin-8-yl]sulfanyl}-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide
Technical Specifications
| Molecular Formula | C23H21N7O5S |
| Molecular Weight | 507.13248 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 180.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 507.13248 Da |
| Heavy Atoms | 36 |
| Complexity | 854.0 |
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)N/N=C/C3=CC=C(C=C3)[N+](=O)[O-])CCC4=CC=CC=C4 |
| InChIKey | LUNPHJNEUSHLQZ-ZMOGYAJESA-N |
Chemical Property Profile of C23H21N7O5S
Property Insights of C23H21N7O5S
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C23H21N7O5S. The TPSA of 180.0 Ų indicates high polarity, suggesting C23H21N7O5S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C23H21N7O5S has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C23H21N7O5S?
The CAS number of C23H21N7O5S is 107608-61-7.
What is the molecular formula of C23H21N7O5S?
The molecular formula of C23H21N7O5S is C23H21N7O5S.
What is the molecular weight of C23H21N7O5S?
The molecular weight of C23H21N7O5S is 507.13248 g/mol.
Where can I buy C23H21N7O5S?
You can request a quote for C23H21N7O5S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C23H21N7O5S?
Yes, CoreyChem provides custom synthesis services for C23H21N7O5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.