1,7-Diphenyl-4-ethyl-4-nitro-1,7-heptanedione
TL;DR: 1,7-Diphenyl-4-ethyl-4-nitro-1,7-heptanedione (CAS 102449-62-7) is a chemical compound with molecular formula C21H23NO4 and molecular weight 353.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-4-nitro-1,7-diphenylheptane-1,7-dione
Also Known As: 1,7-DIPHENYL-4-ETHYL-4-NITRO-1,7-HEPTANEDIONE, 4-ethyl-4-nitro-1,7-diphenylheptane-1,7-dione, 4-ethyl-4-nitro-1,7-diphenyl-heptane-1,7-dione, 665-073-9, RefChem:417810
| Molecular Formula | C21H23NO4 |
|---|---|
| Molecular Weight | 353.16 g/mol |
| LogP | 4.7381 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 353.16272 |
| Heavy Atoms | 26 |
| Complexity | 700.5953 |
Chemical Identifiers
| CAS Number | 102449-62-7 |
|---|---|
| SMILES | CCC(CCC(=O)C1=CC=CC=C1)(CCC(=O)C2=CC=CC=C2)[N+](=O)[O-] |
Product Overview
1,7-Diphenyl-4-ethyl-4-nitro-1,7-heptanedione (CAS 102449-62-7), with molecular formula C21H23NO4 and molecular weight 353.16 g/mol. IUPAC: 4-ethyl-4-nitro-1,7-diphenylheptane-1,7-dione.
Chemical Property Profile of 1,7-Diphenyl-4-ethyl-4-nitro-1,7-heptanedione
Property Insights of 1,7-Diphenyl-4-ethyl-4-nitro-1,7-heptanedione
The XLogP value of 4.7381 indicates that 1,7-Diphenyl-4-ethyl-4-nitro-1,7-heptanedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,7-Diphenyl-4-ethyl-4-nitro-1,7-heptanedione. Following Lipinski's Rule of Five, 1,7-Diphenyl-4-ethyl-4-nitro-1,7-heptanedione has 0 hydrogen bond donor(s) and 4 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 1,7-Diphenyl-4-ethyl-4-nitro-1,7-heptanedione?
The CAS number of 1,7-Diphenyl-4-ethyl-4-nitro-1,7-heptanedione is 102449-62-7.
What is the molecular formula of 1,7-Diphenyl-4-ethyl-4-nitro-1,7-heptanedione?
The molecular formula of 1,7-Diphenyl-4-ethyl-4-nitro-1,7-heptanedione is C21H23NO4.
What is the molecular weight of 1,7-Diphenyl-4-ethyl-4-nitro-1,7-heptanedione?
The molecular weight of 1,7-Diphenyl-4-ethyl-4-nitro-1,7-heptanedione is 353.16 g/mol.
Where can I buy 1,7-Diphenyl-4-ethyl-4-nitro-1,7-heptanedione?
You can request a quote for 1,7-Diphenyl-4-ethyl-4-nitro-1,7-heptanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,7-Diphenyl-4-ethyl-4-nitro-1,7-heptanedione?
Yes, KEHONG BIO provides custom synthesis services for 1,7-Diphenyl-4-ethyl-4-nitro-1,7-heptanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.