C16H17N7O6
TL;DR: C16H17N7O6 (CAS 115294-96-7) is a chemical compound with molecular formula C16H17N7O6 and molecular weight 403.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2,3-dihydroxypropyl)-3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione
Also Known As: (E)-7-(2,3-dihydroxypropyl)-3-methyl-8-(2-(3-nitrobenzylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione, 7-(2,3-dihydroxypropyl)-3-methyl-8-[2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione, 7-(2,3-dihydroxypropyl)-6-hydroxy-3-methyl-8-[(2E)-2-(3-nitrobenzylidene)hydrazinyl]-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C16H17N7O6 |
|---|---|
| Molecular Weight | 403.12 g/mol |
| LogP | -0.8693 |
| Topological Polar Surface Area | 180.67 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.12402 |
| Heavy Atoms | 29 |
| Complexity | 1208.6694 |
Chemical Identifiers
| CAS Number | 115294-96-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C3=CC(=CC=C3)[N+](=O)[O-])CC(CO)O |
Product Overview
C16H17N7O6 (CAS 115294-96-7), with molecular formula C16H17N7O6 and molecular weight 403.12 g/mol. IUPAC: 7-(2,3-dihydroxypropyl)-3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione.
Chemical Property Profile of C16H17N7O6
Property Insights of C16H17N7O6
The XLogP value of -0.8693 indicates that C16H17N7O6 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 180.67 Ų indicates high polarity, suggesting C16H17N7O6 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C16H17N7O6 has 4 hydrogen bond donor(s) and 9 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 C16H17N7O6?
The CAS number of C16H17N7O6 is 115294-96-7.
What is the molecular formula of C16H17N7O6?
The molecular formula of C16H17N7O6 is C16H17N7O6.
What is the molecular weight of C16H17N7O6?
The molecular weight of C16H17N7O6 is 403.12 g/mol.
Where can I buy C16H17N7O6?
You can request a quote for C16H17N7O6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H17N7O6?
Yes, KEHONG BIO provides custom synthesis services for C16H17N7O6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.