2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)nicotinic acid
TL;DR: 2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)nicotinic acid (CAS 902835-85-2) is a chemical compound with molecular formula C15H21N3O4 and molecular weight 307.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid
Also Known As: 2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)nicotinic acid, 2-(4-BOC-PIPERAZIN-1-YL)NICOTINIC ACID, 4795AH, 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic Acid, 4-(3-CARBOXY-PYRIDIN-2-YL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
| Molecular Formula | C15H21N3O4 |
|---|---|
| Molecular Weight | 307.15 g/mol |
| LogP | 1.8369 |
| Topological Polar Surface Area | 82.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.1532 |
| Heavy Atoms | 22 |
| Complexity | 560.1511 |
Chemical Identifiers
| CAS Number | 902835-85-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=CC=N2)C(=O)O |
Product Overview
2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)nicotinic acid (CAS 902835-85-2), with molecular formula C15H21N3O4 and molecular weight 307.15 g/mol. IUPAC: 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid.
Chemical Property Profile of 2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)nicotinic acid
Property Insights of 2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)nicotinic acid
The XLogP value of 1.8369 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)nicotinic acid. The TPSA of 82.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)nicotinic acid. Following Lipinski's Rule of Five, 2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)nicotinic acid has 1 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 2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)nicotinic acid?
The CAS number of 2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)nicotinic acid is 902835-85-2.
What is the molecular formula of 2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)nicotinic acid?
The molecular formula of 2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)nicotinic acid is C15H21N3O4.
What is the molecular weight of 2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)nicotinic acid?
The molecular weight of 2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)nicotinic acid is 307.15 g/mol.
Where can I buy 2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)nicotinic acid?
You can request a quote for 2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)nicotinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)nicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)nicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.