![(3-Methyl-3-bicyclo[2.2.1]heptanyl) 4-nitrobenzoate structure](/static/products/2246/22467-58-9.webp)
(3-Methyl-3-bicyclo[2.2.1]heptanyl) 4-nitrobenzoate
TL;DR: (3-Methyl-3-bicyclo[2.2.1]heptanyl) 4-nitrobenzoate (CAS 22467-58-9) is a chemical compound with molecular formula C15H17NO4 and molecular weight 275.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-2-bicyclo[2.2.1]heptanyl) 4-nitrobenzoate
Also Known As: 2-methyl-2-norbornyl p-nitro-benzoate, (3-methyl-3-bicyclo[2.2.1]heptanyl) 4-nitrobenzoate, 2-METHYL-ENDO-NORBORNYL 4-NITROBENZOATE, 2-METHYL-EXO-NORBORNYL 4-NITROBENZOATE, 2-METHYLBICYCLO[2.2.1]HEPTAN-2-YL 4-NITROBENZOATE
| Molecular Formula | C15H17NO4 |
|---|---|
| Molecular Weight | 275.12 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.11575 |
| Heavy Atoms | 20 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 22467-58-9 |
|---|---|
| SMILES | CC1(CC2CCC1C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | KKEJRNFFZBCZMW-UHFFFAOYSA-N |
Product Overview
(3-Methyl-3-bicyclo[2.2.1]heptanyl) 4-nitrobenzoate (CAS 22467-58-9), with molecular formula C15H17NO4 and molecular weight 275.12 g/mol. IUPAC: (2-methyl-2-bicyclo[2.2.1]heptanyl) 4-nitrobenzoate.
Chemical Property Profile of (3-Methyl-3-bicyclo[2.2.1]heptanyl) 4-nitrobenzoate
Property Insights of (3-Methyl-3-bicyclo[2.2.1]heptanyl) 4-nitrobenzoate
The XLogP value of 3.5 indicates that (3-Methyl-3-bicyclo[2.2.1]heptanyl) 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Methyl-3-bicyclo[2.2.1]heptanyl) 4-nitrobenzoate. Following Lipinski's Rule of Five, (3-Methyl-3-bicyclo[2.2.1]heptanyl) 4-nitrobenzoate has 0 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 (3-Methyl-3-bicyclo[2.2.1]heptanyl) 4-nitrobenzoate?
The CAS number of (3-Methyl-3-bicyclo[2.2.1]heptanyl) 4-nitrobenzoate is 22467-58-9.
What is the molecular formula of (3-Methyl-3-bicyclo[2.2.1]heptanyl) 4-nitrobenzoate?
The molecular formula of (3-Methyl-3-bicyclo[2.2.1]heptanyl) 4-nitrobenzoate is C15H17NO4.
What is the molecular weight of (3-Methyl-3-bicyclo[2.2.1]heptanyl) 4-nitrobenzoate?
The molecular weight of (3-Methyl-3-bicyclo[2.2.1]heptanyl) 4-nitrobenzoate is 275.12 g/mol.
Where can I buy (3-Methyl-3-bicyclo[2.2.1]heptanyl) 4-nitrobenzoate?
You can request a quote for (3-Methyl-3-bicyclo[2.2.1]heptanyl) 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Methyl-3-bicyclo[2.2.1]heptanyl) 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Methyl-3-bicyclo[2.2.1]heptanyl) 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.