4-Nitro-1,7-diphenylheptane-1,7-dione
TL;DR: 4-Nitro-1,7-diphenylheptane-1,7-dione (CAS 7404-82-2) is a chemical compound with molecular formula C19H19NO4 and molecular weight 325.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-1,7-diphenylheptane-1,7-dione
Also Known As: 4-nitro-1,7-diphenylheptane-1,7-dione, 1,7-Diphenyl-4-nitroheptane-1,7-dione, 4-nitro-1,7-diphenyl-heptane-1,7-dione, RefChem:294976
| Molecular Formula | C19H19NO4 |
|---|---|
| Molecular Weight | 325.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 325.1314 |
| Heavy Atoms | 24 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 7404-82-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CCC(CCC(=O)C2=CC=CC=C2)[N+](=O)[O-] |
| InChIKey | BZBXIPQOTHSYJX-UHFFFAOYSA-N |
Product Overview
4-Nitro-1,7-diphenylheptane-1,7-dione (CAS 7404-82-2), with molecular formula C19H19NO4 and molecular weight 325.13 g/mol. IUPAC: 4-nitro-1,7-diphenylheptane-1,7-dione.
Chemical Property Profile of 4-Nitro-1,7-diphenylheptane-1,7-dione
Property Insights of 4-Nitro-1,7-diphenylheptane-1,7-dione
The XLogP value of 3.4 indicates that 4-Nitro-1,7-diphenylheptane-1,7-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-1,7-diphenylheptane-1,7-dione. Following Lipinski's Rule of Five, 4-Nitro-1,7-diphenylheptane-1,7-dione 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 4-Nitro-1,7-diphenylheptane-1,7-dione?
The CAS number of 4-Nitro-1,7-diphenylheptane-1,7-dione is 7404-82-2.
What is the molecular formula of 4-Nitro-1,7-diphenylheptane-1,7-dione?
The molecular formula of 4-Nitro-1,7-diphenylheptane-1,7-dione is C19H19NO4.
What is the molecular weight of 4-Nitro-1,7-diphenylheptane-1,7-dione?
The molecular weight of 4-Nitro-1,7-diphenylheptane-1,7-dione is 325.13 g/mol.
Where can I buy 4-Nitro-1,7-diphenylheptane-1,7-dione?
You can request a quote for 4-Nitro-1,7-diphenylheptane-1,7-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitro-1,7-diphenylheptane-1,7-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-1,7-diphenylheptane-1,7-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.