10-(4-Nitrobenzylidene)-9-anthrone
TL;DR: 10-(4-Nitrobenzylidene)-9-anthrone (CAS 21558-19-0) is a chemical compound with molecular formula C21H13NO3 and molecular weight 327.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[(4-nitrophenyl)methylidene]anthracen-9-one
Also Known As: 10-p-nitrobenzylidene anthrone, 10-(4-NITROBENZYLIDENE)-9-ANTHRONE, 10-[(4-nitrophenyl)methylidene]anthracen-9-one, 9(10H)-Anthracenone, 10-[(4-nitrophenyl)methylene]-, 10-[(4-Nitrophenyl)methylidene]anthracen-9(10H)-one
| Molecular Formula | C21H13NO3 |
|---|---|
| Molecular Weight | 327.09 g/mol |
| LogP | 4.7281 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.08954 |
| Heavy Atoms | 25 |
| Complexity | 981.5166 |
Chemical Identifiers
| CAS Number | 21558-19-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4C2=O |
Product Overview
10-(4-Nitrobenzylidene)-9-anthrone (CAS 21558-19-0), with molecular formula C21H13NO3 and molecular weight 327.09 g/mol. IUPAC: 10-[(4-nitrophenyl)methylidene]anthracen-9-one.
Chemical Property Profile of 10-(4-Nitrobenzylidene)-9-anthrone
Property Insights of 10-(4-Nitrobenzylidene)-9-anthrone
The XLogP value of 4.7281 indicates that 10-(4-Nitrobenzylidene)-9-anthrone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 10-(4-Nitrobenzylidene)-9-anthrone. Following Lipinski's Rule of Five, 10-(4-Nitrobenzylidene)-9-anthrone has 0 hydrogen bond donor(s) and 3 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 10-(4-Nitrobenzylidene)-9-anthrone?
The CAS number of 10-(4-Nitrobenzylidene)-9-anthrone is 21558-19-0.
What is the molecular formula of 10-(4-Nitrobenzylidene)-9-anthrone?
The molecular formula of 10-(4-Nitrobenzylidene)-9-anthrone is C21H13NO3.
What is the molecular weight of 10-(4-Nitrobenzylidene)-9-anthrone?
The molecular weight of 10-(4-Nitrobenzylidene)-9-anthrone is 327.09 g/mol.
Where can I buy 10-(4-Nitrobenzylidene)-9-anthrone?
You can request a quote for 10-(4-Nitrobenzylidene)-9-anthrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-(4-Nitrobenzylidene)-9-anthrone?
Yes, KEHONG BIO provides custom synthesis services for 10-(4-Nitrobenzylidene)-9-anthrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.