Benzamide, 2-(hexahydro-1H-azepin-1-yl)-5-nitro-
TL;DR: Benzamide, 2-(hexahydro-1H-azepin-1-yl)-5-nitro- (CAS 143675-94-9) is a chemical compound with molecular formula C13H17N3O3 and molecular weight 263.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(azepan-1-yl)-5-nitrobenzamide
Also Known As: 2-(azepan-1-yl)-5-nitrobenzamide, Benzamide, 2-(hexahydro-1H-azepin-1-yl)-5-nitro-, 2-(1-azepanyl)-5-nitrobenzamide, AB00113475-01, 2-[(Hexahydro-1H-azepin)-1-yl]-5-nitrobenzenecarboxamide
| Molecular Formula | C13H17N3O3 |
|---|---|
| Molecular Weight | 263.13 g/mol |
| LogP | 2.0741 |
| Topological Polar Surface Area | 89.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.12698 |
| Heavy Atoms | 19 |
| Complexity | 493.90686 |
Chemical Identifiers
| CAS Number | 143675-94-9 |
|---|---|
| SMILES | C1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N |
Product Overview
Benzamide, 2-(hexahydro-1H-azepin-1-yl)-5-nitro- (CAS 143675-94-9), with molecular formula C13H17N3O3 and molecular weight 263.13 g/mol. IUPAC: 2-(azepan-1-yl)-5-nitrobenzamide.
Chemical Property Profile of Benzamide, 2-(hexahydro-1H-azepin-1-yl)-5-nitro-
Property Insights of Benzamide, 2-(hexahydro-1H-azepin-1-yl)-5-nitro-
The XLogP value of 2.0741 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzamide, 2-(hexahydro-1H-azepin-1-yl)-5-nitro-. The TPSA of 89.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzamide, 2-(hexahydro-1H-azepin-1-yl)-5-nitro-. Following Lipinski's Rule of Five, Benzamide, 2-(hexahydro-1H-azepin-1-yl)-5-nitro- has 1 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 Benzamide, 2-(hexahydro-1H-azepin-1-yl)-5-nitro-?
The CAS number of Benzamide, 2-(hexahydro-1H-azepin-1-yl)-5-nitro- is 143675-94-9.
What is the molecular formula of Benzamide, 2-(hexahydro-1H-azepin-1-yl)-5-nitro-?
The molecular formula of Benzamide, 2-(hexahydro-1H-azepin-1-yl)-5-nitro- is C13H17N3O3.
What is the molecular weight of Benzamide, 2-(hexahydro-1H-azepin-1-yl)-5-nitro-?
The molecular weight of Benzamide, 2-(hexahydro-1H-azepin-1-yl)-5-nitro- is 263.13 g/mol.
Where can I buy Benzamide, 2-(hexahydro-1H-azepin-1-yl)-5-nitro-?
You can request a quote for Benzamide, 2-(hexahydro-1H-azepin-1-yl)-5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzamide, 2-(hexahydro-1H-azepin-1-yl)-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzamide, 2-(hexahydro-1H-azepin-1-yl)-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.