C16H17N7O4
TL;DR: C16H17N7O4 (CAS 714937-86-7) is a chemical compound with molecular formula C16H17N7O4 and molecular weight 371.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-7-propan-2-ylpurine-2,6-dione
Also Known As: (E)-7-isopropyl-3-methyl-8-(2-(3-nitrobenzylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione, 3-methyl-8-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-7-propan-2-yl-purine-2,6-dione, 6-hydroxy-3-methyl-8-[(2E)-2-(3-nitrobenzylidene)hydrazinyl]-7-(propan-2-yl)-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C16H17N7O4 |
|---|---|
| Molecular Weight | 371.13 g/mol |
| LogP | 1.3584 |
| Topological Polar Surface Area | 140.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.13422 |
| Heavy Atoms | 27 |
| Complexity | 1169.706 |
Chemical Identifiers
| CAS Number | 714937-86-7 |
|---|---|
| SMILES | CC(C)N1C2=C(N=C1N/N=C/C3=CC(=CC=C3)[N+](=O)[O-])N(C(=O)NC2=O)C |
Product Overview
C16H17N7O4 (CAS 714937-86-7), with molecular formula C16H17N7O4 and molecular weight 371.13 g/mol. IUPAC: 3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-7-propan-2-ylpurine-2,6-dione.
Chemical Property Profile of C16H17N7O4
Property Insights of C16H17N7O4
The XLogP value of 1.3584 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C16H17N7O4. The TPSA of 140.21 Ų indicates high polarity, suggesting C16H17N7O4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C16H17N7O4 has 2 hydrogen bond donor(s) and 7 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 C16H17N7O4?
The CAS number of C16H17N7O4 is 714937-86-7.
What is the molecular formula of C16H17N7O4?
The molecular formula of C16H17N7O4 is C16H17N7O4.
What is the molecular weight of C16H17N7O4?
The molecular weight of C16H17N7O4 is 371.13 g/mol.
Where can I buy C16H17N7O4?
You can request a quote for C16H17N7O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H17N7O4?
Yes, KEHONG BIO provides custom synthesis services for C16H17N7O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.