p-Nitrobenzoato di 3-piperidinometil-2-bornanolo
TL;DR: p-Nitrobenzoato di 3-piperidinometil-2-bornanolo (CAS 17066-40-9) is a chemical compound with molecular formula C23H32N2O4 and molecular weight 400.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,7,7-trimethyl-3-(piperidin-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl] 4-nitrobenzoate
Also Known As: p-Nitrobenzoato di 3-piperidinometil-2-bornanolo, p-Nitrobenzoato di 3-piperidinometil-2-bornanolo [Italian], 2-Bornanol, 3-(piperidinomethyl)-, p-nitrobenzoate (ester), 3-(1-Piperidinylmethyl)-1,7,7-trimethylbicyclo(2.2.1)heptan-2-ol 4-nitrobenzoate (ester), Bicyclo(2.2.1)heptan-2-ol, 3-(1-piperidinylmethyl)-1,7,7-trimethyl-, 4-nitrobenzoate (ester)
| Molecular Formula | C23H32N2O4 |
|---|---|
| Molecular Weight | 400.24 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.2362 |
| Heavy Atoms | 29 |
| Complexity | 631.0 |
Chemical Identifiers
| CAS Number | 17066-40-9 |
|---|---|
| SMILES | CC1(C2CCC1(C(C2CN3CCCCC3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C)C |
| InChIKey | XWEWJWSDRBWCIX-UHFFFAOYSA-N |
Product Overview
p-Nitrobenzoato di 3-piperidinometil-2-bornanolo (CAS 17066-40-9), with molecular formula C23H32N2O4 and molecular weight 400.24 g/mol. IUPAC: [1,7,7-trimethyl-3-(piperidin-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl] 4-nitrobenzoate.
Chemical Property Profile of p-Nitrobenzoato di 3-piperidinometil-2-bornanolo
Property Insights of p-Nitrobenzoato di 3-piperidinometil-2-bornanolo
The XLogP value of 5.4 indicates that p-Nitrobenzoato di 3-piperidinometil-2-bornanolo is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Nitrobenzoato di 3-piperidinometil-2-bornanolo. Following Lipinski's Rule of Five, p-Nitrobenzoato di 3-piperidinometil-2-bornanolo has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of p-Nitrobenzoato di 3-piperidinometil-2-bornanolo?
The CAS number of p-Nitrobenzoato di 3-piperidinometil-2-bornanolo is 17066-40-9.
What is the molecular formula of p-Nitrobenzoato di 3-piperidinometil-2-bornanolo?
The molecular formula of p-Nitrobenzoato di 3-piperidinometil-2-bornanolo is C23H32N2O4.
What is the molecular weight of p-Nitrobenzoato di 3-piperidinometil-2-bornanolo?
The molecular weight of p-Nitrobenzoato di 3-piperidinometil-2-bornanolo is 400.24 g/mol.
Where can I buy p-Nitrobenzoato di 3-piperidinometil-2-bornanolo?
You can request a quote for p-Nitrobenzoato di 3-piperidinometil-2-bornanolo directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Nitrobenzoato di 3-piperidinometil-2-bornanolo?
Yes, KEHONG BIO provides custom synthesis services for p-Nitrobenzoato di 3-piperidinometil-2-bornanolo and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.