![3-{[4-(2-phenylethyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]heptane-2-carboxylic acid structure](/static/products/100/1005246-48-9.png)
3-{[4-(2-phenylethyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]heptane-2-carboxylic acid
TL;DR: 3-{[4-(2-phenylethyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]heptane-2-carboxylic acid (CAS 1005246-48-9) is a chemical compound with molecular formula C21H28N2O3 and molecular weight 356.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(2-phenylethyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid
Also Known As: 3-{[4-(2-phenylethyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]heptane-2-carboxylic acid, 2-(4-phenethylpiperazine-1-carbonyl)bicyclo[2.2.1]heptane-3-carboxylic acid, 3-(4-phenethylpiperazine-1-carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid, 3-[(4-PHENETHYLPIPERAZINO)CARBONYL]BICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID, 3-{[4-(2-phenylethyl)piperazinyl]carbonyl}bicyclo[2.2.1]heptane-2-carboxylic a cid
| Molecular Formula | C21H28N2O3 |
|---|---|
| Molecular Weight | 356.21 g/mol |
| LogP | 2.1202 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.21 |
| Heavy Atoms | 26 |
| Complexity | 654.47986 |
Chemical Identifiers
| CAS Number | 1005246-48-9 |
|---|---|
| SMILES | C1CC2CC1C(C2C(=O)O)C(=O)N3CCN(CC3)CCC4=CC=CC=C4 |
Product Overview
3-{[4-(2-phenylethyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]heptane-2-carboxylic acid (CAS 1005246-48-9), with molecular formula C21H28N2O3 and molecular weight 356.21 g/mol. IUPAC: 3-[4-(2-phenylethyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid.
Chemical Property Profile of 3-{[4-(2-phenylethyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]heptane-2-carboxylic acid
Property Insights of 3-{[4-(2-phenylethyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]heptane-2-carboxylic acid
The XLogP value of 2.1202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[4-(2-phenylethyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]heptane-2-carboxylic acid. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[4-(2-phenylethyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]heptane-2-carboxylic acid. Following Lipinski's Rule of Five, 3-{[4-(2-phenylethyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]heptane-2-carboxylic 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-(2-phenylethyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]heptane-2-carboxylic acid?
The CAS number of 3-{[4-(2-phenylethyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]heptane-2-carboxylic acid is 1005246-48-9.
What is the molecular formula of 3-{[4-(2-phenylethyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]heptane-2-carboxylic acid?
The molecular formula of 3-{[4-(2-phenylethyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]heptane-2-carboxylic acid is C21H28N2O3.
What is the molecular weight of 3-{[4-(2-phenylethyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]heptane-2-carboxylic acid?
The molecular weight of 3-{[4-(2-phenylethyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]heptane-2-carboxylic acid is 356.21 g/mol.
Where can I buy 3-{[4-(2-phenylethyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]heptane-2-carboxylic acid?
You can request a quote for 3-{[4-(2-phenylethyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]heptane-2-carboxylic 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-(2-phenylethyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]heptane-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[4-(2-phenylethyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]heptane-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.