Isoborneol 4-nitrobenzoate
TL;DR: Isoborneol 4-nitrobenzoate (CAS 53391-96-1) is a chemical compound with molecular formula C17H21NO4 and molecular weight 303.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-nitrobenzoate
Also Known As: Isoborneol 4-nitrobenzoate, (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-nitrobenzoate, 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl 4-nitrobenzoate, (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) 4-nitrobenzoate, 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl 4-nitrobenzoate #
| Molecular Formula | C17H21NO4 |
|---|---|
| Molecular Weight | 303.15 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.14706 |
| Heavy Atoms | 22 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 53391-96-1 |
|---|---|
| SMILES | CC1(C2CCC1(C(C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C)C |
| InChIKey | VZBJKOLKZKRUSB-UHFFFAOYSA-N |
Product Overview
Isoborneol 4-nitrobenzoate (CAS 53391-96-1), with molecular formula C17H21NO4 and molecular weight 303.15 g/mol. IUPAC: (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-nitrobenzoate.
Chemical Property Profile of Isoborneol 4-nitrobenzoate
Property Insights of Isoborneol 4-nitrobenzoate
The XLogP value of 4.6 indicates that Isoborneol 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 Isoborneol 4-nitrobenzoate. Following Lipinski's Rule of Five, Isoborneol 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 Isoborneol 4-nitrobenzoate?
The CAS number of Isoborneol 4-nitrobenzoate is 53391-96-1.
What is the molecular formula of Isoborneol 4-nitrobenzoate?
The molecular formula of Isoborneol 4-nitrobenzoate is C17H21NO4.
What is the molecular weight of Isoborneol 4-nitrobenzoate?
The molecular weight of Isoborneol 4-nitrobenzoate is 303.15 g/mol.
Where can I buy Isoborneol 4-nitrobenzoate?
You can request a quote for Isoborneol 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoborneol 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Isoborneol 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.