Benzoic acid, m-nitro-, compd. with hexahydro-1H-azepine (1:1)
TL;DR: Benzoic acid, m-nitro-, compd. with hexahydro-1H-azepine (1:1) (CAS 7270-73-7) is a chemical compound with molecular formula C13H18N2O4 and molecular weight 266.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepane;3-nitrobenzoic acid
Also Known As: G 2 (antioxidant), Hexamethylenimine m-nitrobenzoate, azepane,3-nitrobenzoic acid, azepane; 3-nitrobenzoic acid, m-Nitrobenzoic acid compd. with hexamethylenimine
| Molecular Formula | C13H18N2O4 |
|---|---|
| Molecular Weight | 266.13 g/mol |
| LogP | 2.443 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 266.12665 |
| Heavy Atoms | 19 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 7270-73-7 |
|---|---|
| SMILES | C1CCCNCC1.C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O |
| InChIKey | LCIYFINKFGDAHD-UHFFFAOYSA-N |
Product Overview
Benzoic acid, m-nitro-, compd. with hexahydro-1H-azepine (1:1) (CAS 7270-73-7), with molecular formula C13H18N2O4 and molecular weight 266.13 g/mol. IUPAC: azepane;3-nitrobenzoic acid.
Chemical Property Profile of Benzoic acid, m-nitro-, compd. with hexahydro-1H-azepine (1:1)
Property Insights of Benzoic acid, m-nitro-, compd. with hexahydro-1H-azepine (1:1)
The XLogP value of 2.443 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, m-nitro-, compd. with hexahydro-1H-azepine (1:1). The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, m-nitro-, compd. with hexahydro-1H-azepine (1:1). Following Lipinski's Rule of Five, Benzoic acid, m-nitro-, compd. with hexahydro-1H-azepine (1:1) has 2 hydrogen bond donor(s) and 5 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 Benzoic acid, m-nitro-, compd. with hexahydro-1H-azepine (1:1)?
The CAS number of Benzoic acid, m-nitro-, compd. with hexahydro-1H-azepine (1:1) is 7270-73-7.
What is the molecular formula of Benzoic acid, m-nitro-, compd. with hexahydro-1H-azepine (1:1)?
The molecular formula of Benzoic acid, m-nitro-, compd. with hexahydro-1H-azepine (1:1) is C13H18N2O4.
What is the molecular weight of Benzoic acid, m-nitro-, compd. with hexahydro-1H-azepine (1:1)?
The molecular weight of Benzoic acid, m-nitro-, compd. with hexahydro-1H-azepine (1:1) is 266.13 g/mol.
Where can I buy Benzoic acid, m-nitro-, compd. with hexahydro-1H-azepine (1:1)?
You can request a quote for Benzoic acid, m-nitro-, compd. with hexahydro-1H-azepine (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, m-nitro-, compd. with hexahydro-1H-azepine (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, m-nitro-, compd. with hexahydro-1H-azepine (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.