![3-amino-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic Acid structure](/static/products/904/904818-03-7.png)
3-amino-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic Acid
TL;DR: 3-amino-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic Acid (CAS 904818-03-7) is a chemical compound with molecular formula C16H23N3O4 and molecular weight 321.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid
Also Known As: 4-(2-Amino-6-carboxy-phenyl)-piperazine-1-carboxylic acid tert-butyl ester, 3-amino-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic Acid, 3-Amino-2-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}benzoic acid, 3-AMINO-2-[4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL]BENZOIC ACID, CC(C)(C)OC(=O)N1CCN(CC1)C1=C(N)C=CC=C1C(O)=O
| Molecular Formula | C16H23N3O4 |
|---|---|
| Molecular Weight | 321.17 g/mol |
| LogP | 2.0241 |
| Topological Polar Surface Area | 96.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.16885 |
| Heavy Atoms | 23 |
| Complexity | 601.8332 |
Chemical Identifiers
| CAS Number | 904818-03-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=CC=C2N)C(=O)O |
Product Overview
3-amino-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic Acid (CAS 904818-03-7), with molecular formula C16H23N3O4 and molecular weight 321.17 g/mol. IUPAC: 3-amino-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid.
Chemical Property Profile of 3-amino-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic Acid
Property Insights of 3-amino-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic Acid
The XLogP value of 2.0241 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-amino-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic Acid. The TPSA of 96.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-amino-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic Acid. Following Lipinski's Rule of Five, 3-amino-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic Acid has 2 hydrogen bond donor(s) and 5 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-amino-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic Acid?
The CAS number of 3-amino-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic Acid is 904818-03-7.
What is the molecular formula of 3-amino-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic Acid?
The molecular formula of 3-amino-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic Acid is C16H23N3O4.
What is the molecular weight of 3-amino-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic Acid?
The molecular weight of 3-amino-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic Acid is 321.17 g/mol.
Where can I buy 3-amino-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic Acid?
You can request a quote for 3-amino-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-amino-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-amino-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.