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2-[4-(Benzoyloxy)phenyl]-2-oxoethyl nicotinate
TL;DR: 2-[4-(Benzoyloxy)phenyl]-2-oxoethyl nicotinate (CAS 524045-19-0) is a chemical compound with molecular formula C21H15NO5 and molecular weight 361.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-benzoyloxyphenyl)-2-oxoethyl] pyridine-3-carboxylate
Also Known As: 2-[4-(benzoyloxy)phenyl]-2-oxoethyl nicotinate, 2-(4-(benzoyloxy)phenyl)-2-oxoethyl nicotinate, AJ-292/41945174, [2-(4-benzoyloxyphenyl)-2-oxoethyl] pyridine-3-carboxylate
| Molecular Formula | C21H15NO5 |
|---|---|
| Molecular Weight | 361.10 g/mol |
| LogP | 3.3405 |
| Topological Polar Surface Area | 82.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 361.09503 |
| Heavy Atoms | 27 |
| Complexity | 937.32556 |
Chemical Identifiers
| CAS Number | 524045-19-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)COC(=O)C3=CN=CC=C3 |
Product Overview
2-[4-(Benzoyloxy)phenyl]-2-oxoethyl nicotinate (CAS 524045-19-0), with molecular formula C21H15NO5 and molecular weight 361.10 g/mol. IUPAC: [2-(4-benzoyloxyphenyl)-2-oxoethyl] pyridine-3-carboxylate.
Chemical Property Profile of 2-[4-(Benzoyloxy)phenyl]-2-oxoethyl nicotinate
Property Insights of 2-[4-(Benzoyloxy)phenyl]-2-oxoethyl nicotinate
The XLogP value of 3.3405 indicates that 2-[4-(Benzoyloxy)phenyl]-2-oxoethyl nicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(Benzoyloxy)phenyl]-2-oxoethyl nicotinate. Following Lipinski's Rule of Five, 2-[4-(Benzoyloxy)phenyl]-2-oxoethyl nicotinate 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
Frequently Asked Questions
What is the CAS number of 2-[4-(Benzoyloxy)phenyl]-2-oxoethyl nicotinate?
The CAS number of 2-[4-(Benzoyloxy)phenyl]-2-oxoethyl nicotinate is 524045-19-0.
What is the molecular formula of 2-[4-(Benzoyloxy)phenyl]-2-oxoethyl nicotinate?
The molecular formula of 2-[4-(Benzoyloxy)phenyl]-2-oxoethyl nicotinate is C21H15NO5.
What is the molecular weight of 2-[4-(Benzoyloxy)phenyl]-2-oxoethyl nicotinate?
The molecular weight of 2-[4-(Benzoyloxy)phenyl]-2-oxoethyl nicotinate is 361.10 g/mol.
Where can I buy 2-[4-(Benzoyloxy)phenyl]-2-oxoethyl nicotinate?
You can request a quote for 2-[4-(Benzoyloxy)phenyl]-2-oxoethyl nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(Benzoyloxy)phenyl]-2-oxoethyl nicotinate?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(Benzoyloxy)phenyl]-2-oxoethyl nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.