2,6-双(间硝基亚苄基)环己-1-酮
TL;DR: 2,6-双(间硝基亚苄基)环己-1-酮 (CAS 18977-36-1) is a chemical compound with molecular formula C20H16N2O5 and molecular weight 364.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-双(间硝基亚苄基)环己-1-酮
2,6-bis[(3-nitrophenyl)methylidene]cyclohexan-1-one
Also Known As: 2,6-Bis(m-nitrobenzylidene)cyclohexan-1-one, 2,6-bis[(3-nitrophenyl)methylidene]cyclohexan-1-one, 2,6-Bis(3-nitrobenzylidene)cyclohexanone, 2,6-di(m-nitrophenylmethylene)cyclohexanone, 2,6-Bis-(m-nitrobenzylidene)cyclohexan-1-one
| Molecular Formula | C20H16N2O5 |
|---|---|
| Molecular Weight | 364.11 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 364.10593 |
| Heavy Atoms | 27 |
| Complexity | 604.0 |
Chemical Identifiers
| CAS Number | 18977-36-1 |
|---|---|
| SMILES | C1CC(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C(=CC3=CC(=CC=C3)[N+](=O)[O-])C1 |
| InChIKey | YXADDWKSFJIQJN-UHFFFAOYSA-N |
Product Overview
2,6-双(间硝基亚苄基)环己-1-酮 (CAS 18977-36-1), with molecular formula C20H16N2O5 and molecular weight 364.11 g/mol. IUPAC: 2,6-bis[(3-nitrophenyl)methylidene]cyclohexan-1-one.
Chemical Property Profile of 2,6-双(间硝基亚苄基)环己-1-酮
Property Insights of 2,6-双(间硝基亚苄基)环己-1-酮
The XLogP value of 4.7 indicates that 2,6-双(间硝基亚苄基)环己-1-酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-双(间硝基亚苄基)环己-1-酮. Following Lipinski's Rule of Five, 2,6-双(间硝基亚苄基)环己-1-酮 has 0 hydrogen bond donor(s) and 5 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 2,6-双(间硝基亚苄基)环己-1-酮?
The CAS number of 2,6-双(间硝基亚苄基)环己-1-酮 is 18977-36-1.
What is the molecular formula of 2,6-双(间硝基亚苄基)环己-1-酮?
The molecular formula of 2,6-双(间硝基亚苄基)环己-1-酮 is C20H16N2O5.
What is the molecular weight of 2,6-双(间硝基亚苄基)环己-1-酮?
The molecular weight of 2,6-双(间硝基亚苄基)环己-1-酮 is 364.11 g/mol.
Where can I buy 2,6-双(间硝基亚苄基)环己-1-酮?
You can request a quote for 2,6-双(间硝基亚苄基)环己-1-酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-双(间硝基亚苄基)环己-1-酮?
Yes, KEHONG BIO provides custom synthesis services for 2,6-双(间硝基亚苄基)环己-1-酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.