5-Benzamido-2-hydroxy-2,4,6-cycloheptatrien-1-one
TL;DR: 5-Benzamido-2-hydroxy-2,4,6-cycloheptatrien-1-one (CAS 19281-37-9) is a chemical compound with molecular formula C14H11NO3 and molecular weight 241.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)benzamide
Also Known As: NCIOpen2_004648, Benzamide,4,6-cycloheptatrienyl)-, 5-Benzamido-2-hydroxy-2,4,6-cycloheptatrien-1-one, Benzamide,3,6-cycloheptatrien-1-yl)-, N-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)benzamide
| Molecular Formula | C14H11NO3 |
|---|---|
| Molecular Weight | 241.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.0739 |
| Heavy Atoms | 18 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 19281-37-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC2=CC=C(C(=O)C=C2)O |
| InChIKey | VJYMHMURUDYNNO-UHFFFAOYSA-N |
Product Overview
5-Benzamido-2-hydroxy-2,4,6-cycloheptatrien-1-one (CAS 19281-37-9), with molecular formula C14H11NO3 and molecular weight 241.07 g/mol. IUPAC: N-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)benzamide.
Chemical Property Profile of 5-Benzamido-2-hydroxy-2,4,6-cycloheptatrien-1-one
Property Insights of 5-Benzamido-2-hydroxy-2,4,6-cycloheptatrien-1-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzamido-2-hydroxy-2,4,6-cycloheptatrien-1-one. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzamido-2-hydroxy-2,4,6-cycloheptatrien-1-one. Following Lipinski's Rule of Five, 5-Benzamido-2-hydroxy-2,4,6-cycloheptatrien-1-one has 2 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 5-Benzamido-2-hydroxy-2,4,6-cycloheptatrien-1-one?
The CAS number of 5-Benzamido-2-hydroxy-2,4,6-cycloheptatrien-1-one is 19281-37-9.
What is the molecular formula of 5-Benzamido-2-hydroxy-2,4,6-cycloheptatrien-1-one?
The molecular formula of 5-Benzamido-2-hydroxy-2,4,6-cycloheptatrien-1-one is C14H11NO3.
What is the molecular weight of 5-Benzamido-2-hydroxy-2,4,6-cycloheptatrien-1-one?
The molecular weight of 5-Benzamido-2-hydroxy-2,4,6-cycloheptatrien-1-one is 241.07 g/mol.
Where can I buy 5-Benzamido-2-hydroxy-2,4,6-cycloheptatrien-1-one?
You can request a quote for 5-Benzamido-2-hydroxy-2,4,6-cycloheptatrien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzamido-2-hydroxy-2,4,6-cycloheptatrien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzamido-2-hydroxy-2,4,6-cycloheptatrien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.