Azepan-2-ylmethyl 4-nitrobenzoate
TL;DR: Azepan-2-ylmethyl 4-nitrobenzoate (CAS 6309-41-7) is a chemical compound with molecular formula C14H18N2O4 and molecular weight 278.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-2-ylmethyl 4-nitrobenzoate
Also Known As: azepan-2-ylmethyl 4-nitrobenzoate, biphenyl-4-yl-glyoxylic acid, (Azepan-2-yl)methyl 4-nitrobenzoate
| Molecular Formula | C14H18N2O4 |
|---|---|
| Molecular Weight | 278.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.12665 |
| Heavy Atoms | 20 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 6309-41-7 |
|---|---|
| SMILES | C1CCC(NCC1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | ZVCDTJFXCMCICP-UHFFFAOYSA-N |
Product Overview
Azepan-2-ylmethyl 4-nitrobenzoate (CAS 6309-41-7), with molecular formula C14H18N2O4 and molecular weight 278.13 g/mol. IUPAC: azepan-2-ylmethyl 4-nitrobenzoate.
Chemical Property Profile of Azepan-2-ylmethyl 4-nitrobenzoate
Property Insights of Azepan-2-ylmethyl 4-nitrobenzoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Azepan-2-ylmethyl 4-nitrobenzoate. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Azepan-2-ylmethyl 4-nitrobenzoate. Following Lipinski's Rule of Five, Azepan-2-ylmethyl 4-nitrobenzoate has 1 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 Azepan-2-ylmethyl 4-nitrobenzoate?
The CAS number of Azepan-2-ylmethyl 4-nitrobenzoate is 6309-41-7.
What is the molecular formula of Azepan-2-ylmethyl 4-nitrobenzoate?
The molecular formula of Azepan-2-ylmethyl 4-nitrobenzoate is C14H18N2O4.
What is the molecular weight of Azepan-2-ylmethyl 4-nitrobenzoate?
The molecular weight of Azepan-2-ylmethyl 4-nitrobenzoate is 278.13 g/mol.
Where can I buy Azepan-2-ylmethyl 4-nitrobenzoate?
You can request a quote for Azepan-2-ylmethyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azepan-2-ylmethyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Azepan-2-ylmethyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.