C22H29N7O4
TL;DR: C22H29N7O4 (CAS 331659-01-9) is a chemical compound with molecular formula C22H29N7O4 and molecular weight 455.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-7-nonylpurine-2,6-dione
Also Known As: BAS 00383910, (E)-3-methyl-8-(2-(4-nitrobenzylidene)hydrazinyl)-7-nonyl-1H-purine-2,6(3H,7H)-dione, 6-hydroxy-3-methyl-8-[(2E)-2-(4-nitrobenzylidene)hydrazinyl]-7-nonyl-3,7-dihydro-2H-purin-2-one, 8-{[(1E)-2-(4-nitrophenyl)-1-azavinyl]amino}-3-methyl-7-nonyl-1,3,7-trihydropu rine-2,6-dione
| Molecular Formula | C22H29N7O4 |
|---|---|
| Molecular Weight | 455.23 g/mol |
| LogP | 3.5281 |
| Topological Polar Surface Area | 140.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 455.2281 |
| Heavy Atoms | 33 |
| Complexity | 1238.5933 |
Chemical Identifiers
| CAS Number | 331659-01-9 |
|---|---|
| SMILES | CCCCCCCCCN1C2=C(N=C1N/N=C/C3=CC=C(C=C3)[N+](=O)[O-])N(C(=O)NC2=O)C |
Product Overview
C22H29N7O4 (CAS 331659-01-9), with molecular formula C22H29N7O4 and molecular weight 455.23 g/mol. IUPAC: 3-methyl-8-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-7-nonylpurine-2,6-dione.
Chemical Property Profile of C22H29N7O4
Property Insights of C22H29N7O4
The XLogP value of 3.5281 indicates that C22H29N7O4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.21 Ų indicates high polarity, suggesting C22H29N7O4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C22H29N7O4 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 C22H29N7O4?
The CAS number of C22H29N7O4 is 331659-01-9.
What is the molecular formula of C22H29N7O4?
The molecular formula of C22H29N7O4 is C22H29N7O4.
What is the molecular weight of C22H29N7O4?
The molecular weight of C22H29N7O4 is 455.23 g/mol.
Where can I buy C22H29N7O4?
You can request a quote for C22H29N7O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H29N7O4?
Yes, KEHONG BIO provides custom synthesis services for C22H29N7O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.