4-(Nitrooxy)butyl 3-benzoyl-alpha-methylbenzeneacetate
TL;DR: 4-(Nitrooxy)butyl 3-benzoyl-alpha-methylbenzeneacetate (CAS 156970-83-1) is a chemical compound with molecular formula C20H21NO6 and molecular weight 371.1369 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-nitrooxybutyl 2-(3-benzoylphenyl)propanoate
Also Known As: nitroketoprofen, Ketoprofen nitroxybutyl ester, HCT 2035, 4-(nitrooxy)butyl 2-(3-benzoylphenyl)propanoate, 4-nitrooxybutyl 2-(3-benzoylphenyl)propanoate
Technical Specifications
| Molecular Formula | C20H21NO6 |
| Molecular Weight | 371.1369 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 371.1369 Da |
| Heavy Atoms | 27 |
| Complexity | 497.0 |
| SMILES | CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)OCCCCO[N+](=O)[O-] |
| InChIKey | DRBPAHMAGAOWNB-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Nitrooxy)butyl 3-benzoyl-alpha-methylbenzeneacetate
Property Insights of 4-(Nitrooxy)butyl 3-benzoyl-alpha-methylbenzeneacetate
The XLogP value of 4.4 indicates that 4-(Nitrooxy)butyl 3-benzoyl-alpha-methylbenzeneacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Nitrooxy)butyl 3-benzoyl-alpha-methylbenzeneacetate. Following Lipinski's Rule of Five, 4-(Nitrooxy)butyl 3-benzoyl-alpha-methylbenzeneacetate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(Nitrooxy)butyl 3-benzoyl-alpha-methylbenzeneacetate?
The CAS number of 4-(Nitrooxy)butyl 3-benzoyl-alpha-methylbenzeneacetate is 156970-83-1.
What is the molecular formula of 4-(Nitrooxy)butyl 3-benzoyl-alpha-methylbenzeneacetate?
The molecular formula of 4-(Nitrooxy)butyl 3-benzoyl-alpha-methylbenzeneacetate is C20H21NO6.
What is the molecular weight of 4-(Nitrooxy)butyl 3-benzoyl-alpha-methylbenzeneacetate?
The molecular weight of 4-(Nitrooxy)butyl 3-benzoyl-alpha-methylbenzeneacetate is 371.1369 g/mol.
Where can I buy 4-(Nitrooxy)butyl 3-benzoyl-alpha-methylbenzeneacetate?
You can request a quote for 4-(Nitrooxy)butyl 3-benzoyl-alpha-methylbenzeneacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Nitrooxy)butyl 3-benzoyl-alpha-methylbenzeneacetate?
Yes, CoreyChem provides custom synthesis services for 4-(Nitrooxy)butyl 3-benzoyl-alpha-methylbenzeneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.