![2-Pyrazineacetic acid, 1-[[(4-fluorophenyl)amino]carbonothioyl]hexahydro-3-oxo-, methyl ester structure](/static/products/1008/1008958-22-2.webp)
2-Pyrazineacetic acid, 1-[[(4-fluorophenyl)amino]carbonothioyl]hexahydro-3-oxo-, methyl ester
TL;DR: 2-Pyrazineacetic acid, 1-[[(4-fluorophenyl)amino]carbonothioyl]hexahydro-3-oxo-, methyl ester (CAS 1008958-22-2) is a chemical compound with molecular formula C14H16FN3O3S and molecular weight 325.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[1-[(4-fluorophenyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
Also Known As: 2-Pyrazineacetic acid, 1-[[(4-fluorophenyl)amino]carbonothioyl]hexahydro-3-oxo-, methyl ester, A3816/0162018, methyl {1-[(4-fluorophenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate, methyl 2-(1-((4-fluorophenyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate, methyl 2-[1-[(4-fluorophenyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
| Molecular Formula | C14H16FN3O3S |
|---|---|
| Molecular Weight | 325.09 g/mol |
| LogP | 0.886 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.08963 |
| Heavy Atoms | 22 |
| Complexity | 579.20074 |
Chemical Identifiers
| CAS Number | 1008958-22-2 |
|---|---|
| SMILES | COC(=O)CC1C(=O)NCCN1C(=S)NC2=CC=C(C=C2)F |
Product Overview
2-Pyrazineacetic acid, 1-[[(4-fluorophenyl)amino]carbonothioyl]hexahydro-3-oxo-, methyl ester (CAS 1008958-22-2), with molecular formula C14H16FN3O3S and molecular weight 325.09 g/mol. IUPAC: methyl 2-[1-[(4-fluorophenyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate.
Chemical Property Profile of 2-Pyrazineacetic acid, 1-[[(4-fluorophenyl)amino]carbonothioyl]hexahydro-3-oxo-, methyl ester
Property Insights of 2-Pyrazineacetic acid, 1-[[(4-fluorophenyl)amino]carbonothioyl]hexahydro-3-oxo-, methyl ester
The XLogP value of 0.886 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyrazineacetic acid, 1-[[(4-fluorophenyl)amino]carbonothioyl]hexahydro-3-oxo-, methyl ester. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Pyrazineacetic acid, 1-[[(4-fluorophenyl)amino]carbonothioyl]hexahydro-3-oxo-, methyl ester. Following Lipinski's Rule of Five, 2-Pyrazineacetic acid, 1-[[(4-fluorophenyl)amino]carbonothioyl]hexahydro-3-oxo-, methyl ester has 2 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 2-Pyrazineacetic acid, 1-[[(4-fluorophenyl)amino]carbonothioyl]hexahydro-3-oxo-, methyl ester?
The CAS number of 2-Pyrazineacetic acid, 1-[[(4-fluorophenyl)amino]carbonothioyl]hexahydro-3-oxo-, methyl ester is 1008958-22-2.
What is the molecular formula of 2-Pyrazineacetic acid, 1-[[(4-fluorophenyl)amino]carbonothioyl]hexahydro-3-oxo-, methyl ester?
The molecular formula of 2-Pyrazineacetic acid, 1-[[(4-fluorophenyl)amino]carbonothioyl]hexahydro-3-oxo-, methyl ester is C14H16FN3O3S.
What is the molecular weight of 2-Pyrazineacetic acid, 1-[[(4-fluorophenyl)amino]carbonothioyl]hexahydro-3-oxo-, methyl ester?
The molecular weight of 2-Pyrazineacetic acid, 1-[[(4-fluorophenyl)amino]carbonothioyl]hexahydro-3-oxo-, methyl ester is 325.09 g/mol.
Where can I buy 2-Pyrazineacetic acid, 1-[[(4-fluorophenyl)amino]carbonothioyl]hexahydro-3-oxo-, methyl ester?
You can request a quote for 2-Pyrazineacetic acid, 1-[[(4-fluorophenyl)amino]carbonothioyl]hexahydro-3-oxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyrazineacetic acid, 1-[[(4-fluorophenyl)amino]carbonothioyl]hexahydro-3-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyrazineacetic acid, 1-[[(4-fluorophenyl)amino]carbonothioyl]hexahydro-3-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.