Phenol, 2-nitro-, compd. with hexahydro-1H-azepine (1:1)
TL;DR: Phenol, 2-nitro-, compd. with hexahydro-1H-azepine (1:1) (CAS 57695-35-9) is a chemical compound with molecular formula C12H18N2O3 and molecular weight 238.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepane;2-nitrophenol
Also Known As: o-Nitrophenolate hexamethylenimine, azepane; 2-nitrophenol, 2-Nitrophenol--azepane (1/1), 2-Nitrophenol compd. with hexahydro-1H-azepine (1:1), Phenol, 2-nitro-, compd. with hexahydro-1H-azepine (1:1)
| Molecular Formula | C12H18N2O3 |
|---|---|
| Molecular Weight | 238.13 g/mol |
| LogP | 2.4504 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 238.13174 |
| Heavy Atoms | 17 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 57695-35-9 |
|---|---|
| SMILES | C1CCCNCC1.C1=CC=C(C(=C1)[N+](=O)[O-])O |
| InChIKey | FGKVTGJLHJQSAW-UHFFFAOYSA-N |
Product Overview
Phenol, 2-nitro-, compd. with hexahydro-1H-azepine (1:1) (CAS 57695-35-9), with molecular formula C12H18N2O3 and molecular weight 238.13 g/mol. IUPAC: azepane;2-nitrophenol.
Chemical Property Profile of Phenol, 2-nitro-, compd. with hexahydro-1H-azepine (1:1)
Property Insights of Phenol, 2-nitro-, compd. with hexahydro-1H-azepine (1:1)
The XLogP value of 2.4504 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, 2-nitro-, compd. with hexahydro-1H-azepine (1:1). The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenol, 2-nitro-, compd. with hexahydro-1H-azepine (1:1). Following Lipinski's Rule of Five, Phenol, 2-nitro-, compd. with hexahydro-1H-azepine (1:1) has 2 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 Phenol, 2-nitro-, compd. with hexahydro-1H-azepine (1:1)?
The CAS number of Phenol, 2-nitro-, compd. with hexahydro-1H-azepine (1:1) is 57695-35-9.
What is the molecular formula of Phenol, 2-nitro-, compd. with hexahydro-1H-azepine (1:1)?
The molecular formula of Phenol, 2-nitro-, compd. with hexahydro-1H-azepine (1:1) is C12H18N2O3.
What is the molecular weight of Phenol, 2-nitro-, compd. with hexahydro-1H-azepine (1:1)?
The molecular weight of Phenol, 2-nitro-, compd. with hexahydro-1H-azepine (1:1) is 238.13 g/mol.
Where can I buy Phenol, 2-nitro-, compd. with hexahydro-1H-azepine (1:1)?
You can request a quote for Phenol, 2-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 Phenol, 2-nitro-, compd. with hexahydro-1H-azepine (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 2-nitro-, compd. with hexahydro-1H-azepine (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.