tert-butyl 4-(2-chloroisonicotinoyl)tetrahydro-1(2H)-pyrazinecarboxylate
TL;DR: tert-butyl 4-(2-chloroisonicotinoyl)tetrahydro-1(2H)-pyrazinecarboxylate (CAS 329794-46-9) is a chemical compound with molecular formula C15H20ClN3O3 and molecular weight 325.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-(2-chloropyridine-4-carbonyl)piperazine-1-carboxylate
Also Known As: tert-butyl 4-(2-chloroisonicotinoyl)tetrahydro-1(2H)-pyrazinecarboxylate, tert-butyl 4-(2-chloropyridine-4-carbonyl)piperazine-1-carboxylate, tert-Butyl 4-(2-chloroisonicotinoyl)piperazine-1-carboxyl ate, tert-Butyl 4-(2-chloroisonicotinoyl)piperazine-1-carboxylate, 1-Piperazinecarboxylic acid, 4-[(2-chloro-4-pyridinyl)carbonyl]-, 1,1-dimethylethyl ester
| Molecular Formula | C15H20ClN3O3 |
|---|---|
| Molecular Weight | 325.12 g/mol |
| LogP | 2.4279 |
| Topological Polar Surface Area | 62.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 325.11932 |
| Heavy Atoms | 22 |
| Complexity | 563.39624 |
Chemical Identifiers
| CAS Number | 329794-46-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=NC=C2)Cl |
Product Overview
tert-butyl 4-(2-chloroisonicotinoyl)tetrahydro-1(2H)-pyrazinecarboxylate (CAS 329794-46-9), with molecular formula C15H20ClN3O3 and molecular weight 325.12 g/mol. IUPAC: tert-butyl 4-(2-chloropyridine-4-carbonyl)piperazine-1-carboxylate.
Chemical Property Profile of tert-butyl 4-(2-chloroisonicotinoyl)tetrahydro-1(2H)-pyrazinecarboxylate
Property Insights of tert-butyl 4-(2-chloroisonicotinoyl)tetrahydro-1(2H)-pyrazinecarboxylate
The XLogP value of 2.4279 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl 4-(2-chloroisonicotinoyl)tetrahydro-1(2H)-pyrazinecarboxylate. The TPSA of 62.74 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl 4-(2-chloroisonicotinoyl)tetrahydro-1(2H)-pyrazinecarboxylate. Following Lipinski's Rule of Five, tert-butyl 4-(2-chloroisonicotinoyl)tetrahydro-1(2H)-pyrazinecarboxylate has 0 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 tert-butyl 4-(2-chloroisonicotinoyl)tetrahydro-1(2H)-pyrazinecarboxylate?
The CAS number of tert-butyl 4-(2-chloroisonicotinoyl)tetrahydro-1(2H)-pyrazinecarboxylate is 329794-46-9.
What is the molecular formula of tert-butyl 4-(2-chloroisonicotinoyl)tetrahydro-1(2H)-pyrazinecarboxylate?
The molecular formula of tert-butyl 4-(2-chloroisonicotinoyl)tetrahydro-1(2H)-pyrazinecarboxylate is C15H20ClN3O3.
What is the molecular weight of tert-butyl 4-(2-chloroisonicotinoyl)tetrahydro-1(2H)-pyrazinecarboxylate?
The molecular weight of tert-butyl 4-(2-chloroisonicotinoyl)tetrahydro-1(2H)-pyrazinecarboxylate is 325.12 g/mol.
Where can I buy tert-butyl 4-(2-chloroisonicotinoyl)tetrahydro-1(2H)-pyrazinecarboxylate?
You can request a quote for tert-butyl 4-(2-chloroisonicotinoyl)tetrahydro-1(2H)-pyrazinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl 4-(2-chloroisonicotinoyl)tetrahydro-1(2H)-pyrazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl 4-(2-chloroisonicotinoyl)tetrahydro-1(2H)-pyrazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.