![Methyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-5-nitrobenzoate structure](/static/products/1001/1001463-93-9.webp)
Methyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-5-nitrobenzoate
TL;DR: Methyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-5-nitrobenzoate (CAS 1001463-93-9) is a chemical compound with molecular formula C18H22N2O5 and molecular weight 346.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-5-nitrobenzoate
Also Known As: methyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-5-nitrobenzoate, methyl 3-[1-(3-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-5-nitrobenzoate, Methyl 3-[1-(6-bicyclo[2.2.1]heptyl)ethylcarbamoyl]-5-nitro-benzoate
| Molecular Formula | C18H22N2O5 |
|---|---|
| Molecular Weight | 346.15 g/mol |
| LogP | 2.9359 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.15286 |
| Heavy Atoms | 25 |
| Complexity | 717.418 |
Chemical Identifiers
| CAS Number | 1001463-93-9 |
|---|---|
| SMILES | CC(C1CC2CCC1C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC |
Product Overview
Methyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-5-nitrobenzoate (CAS 1001463-93-9), with molecular formula C18H22N2O5 and molecular weight 346.15 g/mol. IUPAC: methyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-5-nitrobenzoate.
Chemical Property Profile of Methyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-5-nitrobenzoate
Property Insights of Methyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-5-nitrobenzoate
The XLogP value of 2.9359 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-5-nitrobenzoate. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-5-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-5-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 Methyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-5-nitrobenzoate?
The CAS number of Methyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-5-nitrobenzoate is 1001463-93-9.
What is the molecular formula of Methyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-5-nitrobenzoate?
The molecular formula of Methyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-5-nitrobenzoate is C18H22N2O5.
What is the molecular weight of Methyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-5-nitrobenzoate?
The molecular weight of Methyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-5-nitrobenzoate is 346.15 g/mol.
Where can I buy Methyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-5-nitrobenzoate?
You can request a quote for Methyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-5-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.