![2-Pyrazineacetic acid, hexahydro-1-[[(3-methoxyphenyl)amino]carbonothioyl]-3-oxo-, ethyl ester structure](/static/products/1009/1009243-94-0.webp)
2-Pyrazineacetic acid, hexahydro-1-[[(3-methoxyphenyl)amino]carbonothioyl]-3-oxo-, ethyl ester
TL;DR: 2-Pyrazineacetic acid, hexahydro-1-[[(3-methoxyphenyl)amino]carbonothioyl]-3-oxo-, ethyl ester (CAS 1009243-94-0) is a chemical compound with molecular formula C16H21N3O4S and molecular weight 351.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[1-[(3-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
Also Known As: 2-Pyrazineacetic acid, hexahydro-1-[[(3-methoxyphenyl)amino]carbonothioyl]-3-oxo-, ethyl ester, A3816/0162017, ethyl {1-[(3-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate, ethyl 2-(1-((3-methoxyphenyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate, ethyl 2-[1-[(3-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
| Molecular Formula | C16H21N3O4S |
|---|---|
| Molecular Weight | 351.13 g/mol |
| LogP | 1.1456 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.12527 |
| Heavy Atoms | 24 |
| Complexity | 623.09503 |
Chemical Identifiers
| CAS Number | 1009243-94-0 |
|---|---|
| SMILES | CCOC(=O)CC1C(=O)NCCN1C(=S)NC2=CC(=CC=C2)OC |
Product Overview
2-Pyrazineacetic acid, hexahydro-1-[[(3-methoxyphenyl)amino]carbonothioyl]-3-oxo-, ethyl ester (CAS 1009243-94-0), with molecular formula C16H21N3O4S and molecular weight 351.13 g/mol. IUPAC: ethyl 2-[1-[(3-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate.
Chemical Property Profile of 2-Pyrazineacetic acid, hexahydro-1-[[(3-methoxyphenyl)amino]carbonothioyl]-3-oxo-, ethyl ester
Property Insights of 2-Pyrazineacetic acid, hexahydro-1-[[(3-methoxyphenyl)amino]carbonothioyl]-3-oxo-, ethyl ester
The XLogP value of 1.1456 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyrazineacetic acid, hexahydro-1-[[(3-methoxyphenyl)amino]carbonothioyl]-3-oxo-, ethyl ester. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Pyrazineacetic acid, hexahydro-1-[[(3-methoxyphenyl)amino]carbonothioyl]-3-oxo-, ethyl ester. Following Lipinski's Rule of Five, 2-Pyrazineacetic acid, hexahydro-1-[[(3-methoxyphenyl)amino]carbonothioyl]-3-oxo-, ethyl ester 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 2-Pyrazineacetic acid, hexahydro-1-[[(3-methoxyphenyl)amino]carbonothioyl]-3-oxo-, ethyl ester?
The CAS number of 2-Pyrazineacetic acid, hexahydro-1-[[(3-methoxyphenyl)amino]carbonothioyl]-3-oxo-, ethyl ester is 1009243-94-0.
What is the molecular formula of 2-Pyrazineacetic acid, hexahydro-1-[[(3-methoxyphenyl)amino]carbonothioyl]-3-oxo-, ethyl ester?
The molecular formula of 2-Pyrazineacetic acid, hexahydro-1-[[(3-methoxyphenyl)amino]carbonothioyl]-3-oxo-, ethyl ester is C16H21N3O4S.
What is the molecular weight of 2-Pyrazineacetic acid, hexahydro-1-[[(3-methoxyphenyl)amino]carbonothioyl]-3-oxo-, ethyl ester?
The molecular weight of 2-Pyrazineacetic acid, hexahydro-1-[[(3-methoxyphenyl)amino]carbonothioyl]-3-oxo-, ethyl ester is 351.13 g/mol.
Where can I buy 2-Pyrazineacetic acid, hexahydro-1-[[(3-methoxyphenyl)amino]carbonothioyl]-3-oxo-, ethyl ester?
You can request a quote for 2-Pyrazineacetic acid, hexahydro-1-[[(3-methoxyphenyl)amino]carbonothioyl]-3-oxo-, ethyl 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, hexahydro-1-[[(3-methoxyphenyl)amino]carbonothioyl]-3-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyrazineacetic acid, hexahydro-1-[[(3-methoxyphenyl)amino]carbonothioyl]-3-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.