(5S,7R)-3-(4-nitrophenyl)adamantane-1-carboxylic acid
TL;DR: (5S,7R)-3-(4-nitrophenyl)adamantane-1-carboxylic acid (CAS 7123-76-4) is a chemical compound with molecular formula C17H19NO4 and molecular weight 301.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,7R)-3-(4-nitrophenyl)adamantane-1-carboxylic acid
Also Known As: Maybridge1_006678, 8572AE, 3- ADAMANTANE-1-CARBOXYLICACID, 3-(4-nitrophenyl)adamantane-1-carboxylic acid, (5S,7R)-3-(4-nitrophenyl)adamantane-1-carboxylic acid
| Molecular Formula | C17H19NO4 |
|---|---|
| Molecular Weight | 301.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.1314 |
| Heavy Atoms | 22 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 7123-76-4 |
|---|---|
| SMILES | C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)C(=O)O)C4=CC=C(C=C4)[N+](=O)[O-] |
| InChIKey | JGYFFTQRRDPOIR-GKUGFIGPSA-N |
Product Overview
(5S,7R)-3-(4-nitrophenyl)adamantane-1-carboxylic acid (CAS 7123-76-4), with molecular formula C17H19NO4 and molecular weight 301.13 g/mol. IUPAC: (5S,7R)-3-(4-nitrophenyl)adamantane-1-carboxylic acid.
Chemical Property Profile of (5S,7R)-3-(4-nitrophenyl)adamantane-1-carboxylic acid
Property Insights of (5S,7R)-3-(4-nitrophenyl)adamantane-1-carboxylic acid
The XLogP value of 3.7 indicates that (5S,7R)-3-(4-nitrophenyl)adamantane-1-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (5S,7R)-3-(4-nitrophenyl)adamantane-1-carboxylic acid. Following Lipinski's Rule of Five, (5S,7R)-3-(4-nitrophenyl)adamantane-1-carboxylic acid has 1 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 (5S,7R)-3-(4-nitrophenyl)adamantane-1-carboxylic acid?
The CAS number of (5S,7R)-3-(4-nitrophenyl)adamantane-1-carboxylic acid is 7123-76-4.
What is the molecular formula of (5S,7R)-3-(4-nitrophenyl)adamantane-1-carboxylic acid?
The molecular formula of (5S,7R)-3-(4-nitrophenyl)adamantane-1-carboxylic acid is C17H19NO4.
What is the molecular weight of (5S,7R)-3-(4-nitrophenyl)adamantane-1-carboxylic acid?
The molecular weight of (5S,7R)-3-(4-nitrophenyl)adamantane-1-carboxylic acid is 301.13 g/mol.
Where can I buy (5S,7R)-3-(4-nitrophenyl)adamantane-1-carboxylic acid?
You can request a quote for (5S,7R)-3-(4-nitrophenyl)adamantane-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5S,7R)-3-(4-nitrophenyl)adamantane-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (5S,7R)-3-(4-nitrophenyl)adamantane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.