1,3-Butanedione, 1-(3-nitrophenyl)-
TL;DR: 1,3-Butanedione, 1-(3-nitrophenyl)- (CAS 5435-66-5) is a chemical compound with molecular formula C10H9NO4 and molecular weight 207.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-nitrophenyl)butane-1,3-dione
Also Known As: 1-(3-nitrophenyl)butane-1,3-dione, (m-Nitrobenzoyl)acetone, 3-nitrobenzoylacetone, m-nitro benzoylacetone, 1-(3-NITRO-PHENYL)-BUTANE-1,3-DIONE
| Molecular Formula | C10H9NO4 |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.05316 |
| Heavy Atoms | 15 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 5435-66-5 |
|---|---|
| SMILES | CC(=O)CC(=O)C1=CC(=CC=C1)[N+](=O)[O-] |
| InChIKey | LENGHKYAWBMFDH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Butanedione, 1-(3-nitrophenyl)- (CAS 5435-66-5), with molecular formula C10H9NO4 and molecular weight 207.05 g/mol. IUPAC: 1-(3-nitrophenyl)butane-1,3-dione.
Chemical Property Profile of 1,3-Butanedione, 1-(3-nitrophenyl)-
Property Insights of 1,3-Butanedione, 1-(3-nitrophenyl)-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Butanedione, 1-(3-nitrophenyl)-. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Butanedione, 1-(3-nitrophenyl)-. Following Lipinski's Rule of Five, 1,3-Butanedione, 1-(3-nitrophenyl)- 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 1,3-Butanedione, 1-(3-nitrophenyl)-?
The CAS number of 1,3-Butanedione, 1-(3-nitrophenyl)- is 5435-66-5.
What is the molecular formula of 1,3-Butanedione, 1-(3-nitrophenyl)-?
The molecular formula of 1,3-Butanedione, 1-(3-nitrophenyl)- is C10H9NO4.
What is the molecular weight of 1,3-Butanedione, 1-(3-nitrophenyl)-?
The molecular weight of 1,3-Butanedione, 1-(3-nitrophenyl)- is 207.05 g/mol.
Where can I buy 1,3-Butanedione, 1-(3-nitrophenyl)-?
You can request a quote for 1,3-Butanedione, 1-(3-nitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Butanedione, 1-(3-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Butanedione, 1-(3-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.