2H-Azepin-2-one, hexahydro-1-(4-nitrobenzoyl)-
TL;DR: 2H-Azepin-2-one, hexahydro-1-(4-nitrobenzoyl)- (CAS 14468-76-9) is a chemical compound with molecular formula C13H14N2O4 and molecular weight 262.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrobenzoyl)azepan-2-one
Also Known As: 1-(4-nitrobenzoyl)azepan-2-one, 4-nitrobenzoylcaprolactam, N-(4-nitrobenzoyl)caprolactam, 1-{4-nitrobenzoyl}-2-azepanone, 2H-Azepin-2-one, hexahydro-1-(4-nitrobenzoyl)-
| Molecular Formula | C13H14N2O4 |
|---|---|
| Molecular Weight | 262.10 g/mol |
| LogP | 2.1376 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.09537 |
| Heavy Atoms | 19 |
| Complexity | 509.87943 |
Chemical Identifiers
| CAS Number | 14468-76-9 |
|---|---|
| SMILES | C1CCC(=O)N(CC1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
2H-Azepin-2-one, hexahydro-1-(4-nitrobenzoyl)- (CAS 14468-76-9), with molecular formula C13H14N2O4 and molecular weight 262.10 g/mol. IUPAC: 1-(4-nitrobenzoyl)azepan-2-one.
Chemical Property Profile of 2H-Azepin-2-one, hexahydro-1-(4-nitrobenzoyl)-
Property Insights of 2H-Azepin-2-one, hexahydro-1-(4-nitrobenzoyl)-
The XLogP value of 2.1376 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Azepin-2-one, hexahydro-1-(4-nitrobenzoyl)-. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-Azepin-2-one, hexahydro-1-(4-nitrobenzoyl)-. Following Lipinski's Rule of Five, 2H-Azepin-2-one, hexahydro-1-(4-nitrobenzoyl)- 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 2H-Azepin-2-one, hexahydro-1-(4-nitrobenzoyl)-?
The CAS number of 2H-Azepin-2-one, hexahydro-1-(4-nitrobenzoyl)- is 14468-76-9.
What is the molecular formula of 2H-Azepin-2-one, hexahydro-1-(4-nitrobenzoyl)-?
The molecular formula of 2H-Azepin-2-one, hexahydro-1-(4-nitrobenzoyl)- is C13H14N2O4.
What is the molecular weight of 2H-Azepin-2-one, hexahydro-1-(4-nitrobenzoyl)-?
The molecular weight of 2H-Azepin-2-one, hexahydro-1-(4-nitrobenzoyl)- is 262.10 g/mol.
Where can I buy 2H-Azepin-2-one, hexahydro-1-(4-nitrobenzoyl)-?
You can request a quote for 2H-Azepin-2-one, hexahydro-1-(4-nitrobenzoyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Azepin-2-one, hexahydro-1-(4-nitrobenzoyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-Azepin-2-one, hexahydro-1-(4-nitrobenzoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.