![3-(4-Nitrophenyl)tricyclo[3.3.1.13,7]decane-1-acetic acid structure](/static/products/1610/161036-57-3.webp)
3-(4-Nitrophenyl)tricyclo[3.3.1.13,7]decane-1-acetic acid
TL;DR: 3-(4-Nitrophenyl)tricyclo[3.3.1.13,7]decane-1-acetic acid (CAS 161036-57-3) is a chemical compound with molecular formula C18H21NO4 and molecular weight 315.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-nitrophenyl)-1-adamantyl]acetic acid
Also Known As: 0KPI-0043, 2-[3-(4-nitrophenyl)-1-adamantyl]acetic Acid, (3-{4-nitrophenyl}-1-adamantyl)acetic acid, 3-(4-Nitrophenyl)tricyclo[3.3.1.13,7]decane-1-acetic acid, [3-(4-Nitrophenyl)adamantan-1-yl]acetic acid
| Molecular Formula | C18H21NO4 |
|---|---|
| Molecular Weight | 315.15 g/mol |
| LogP | 3.9075 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.14706 |
| Heavy Atoms | 23 |
| Complexity | 652.10406 |
Chemical Identifiers
| CAS Number | 161036-57-3 |
|---|---|
| SMILES | C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)[N+](=O)[O-])CC(=O)O |
Product Overview
3-(4-Nitrophenyl)tricyclo[3.3.1.13,7]decane-1-acetic acid (CAS 161036-57-3), with molecular formula C18H21NO4 and molecular weight 315.15 g/mol. IUPAC: 2-[3-(4-nitrophenyl)-1-adamantyl]acetic acid.
Chemical Property Profile of 3-(4-Nitrophenyl)tricyclo[3.3.1.13,7]decane-1-acetic acid
Property Insights of 3-(4-Nitrophenyl)tricyclo[3.3.1.13,7]decane-1-acetic acid
The XLogP value of 3.9075 indicates that 3-(4-Nitrophenyl)tricyclo[3.3.1.13,7]decane-1-acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Nitrophenyl)tricyclo[3.3.1.13,7]decane-1-acetic acid. Following Lipinski's Rule of Five, 3-(4-Nitrophenyl)tricyclo[3.3.1.13,7]decane-1-acetic acid has 1 hydrogen bond donor(s) and 3 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-(4-Nitrophenyl)tricyclo[3.3.1.13,7]decane-1-acetic acid?
The CAS number of 3-(4-Nitrophenyl)tricyclo[3.3.1.13,7]decane-1-acetic acid is 161036-57-3.
What is the molecular formula of 3-(4-Nitrophenyl)tricyclo[3.3.1.13,7]decane-1-acetic acid?
The molecular formula of 3-(4-Nitrophenyl)tricyclo[3.3.1.13,7]decane-1-acetic acid is C18H21NO4.
What is the molecular weight of 3-(4-Nitrophenyl)tricyclo[3.3.1.13,7]decane-1-acetic acid?
The molecular weight of 3-(4-Nitrophenyl)tricyclo[3.3.1.13,7]decane-1-acetic acid is 315.15 g/mol.
Where can I buy 3-(4-Nitrophenyl)tricyclo[3.3.1.13,7]decane-1-acetic acid?
You can request a quote for 3-(4-Nitrophenyl)tricyclo[3.3.1.13,7]decane-1-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Nitrophenyl)tricyclo[3.3.1.13,7]decane-1-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Nitrophenyl)tricyclo[3.3.1.13,7]decane-1-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.