![2-(4-Benzoylaminocarbothioyl-piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carb oxylic acid structure](/static/products/400/400828-71-9.png)
2-(4-Benzoylaminocarbothioyl-piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carb oxylic acid
TL;DR: 2-(4-Benzoylaminocarbothioyl-piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carb oxylic acid (CAS 400828-71-9) is a chemical compound with molecular formula C22H22N6O4S and molecular weight 466.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(benzoylcarbamothioyl)piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
Also Known As: 2-(4-Benzoylaminocarbothioyl-piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carb oxylic acid, 2-[4-(benzoylcarbamothioyl)piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid, 2-(4-(benzoylcarbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, 2-[4-(benzoylthiocarbamoyl)piperazino]-8-ethyl-5-keto-pyrido[2,3-d]pyrimidine-6-carboxylic acid, 2-[4-[benzamido(sulfanylidene)methyl]-1-piperazinyl]-8-ethyl-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxylic acid
| Molecular Formula | C22H22N6O4S |
|---|---|
| Molecular Weight | 466.14 g/mol |
| LogP | 1.3465 |
| Topological Polar Surface Area | 120.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.14233 |
| Heavy Atoms | 33 |
| Complexity | 1285.2809 |
Chemical Identifiers
| CAS Number | 400828-71-9 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC=CC=C4)C(=O)O |
Product Overview
2-(4-Benzoylaminocarbothioyl-piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carb oxylic acid (CAS 400828-71-9), with molecular formula C22H22N6O4S and molecular weight 466.14 g/mol. IUPAC: 2-[4-(benzoylcarbamothioyl)piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid.
Chemical Property Profile of 2-(4-Benzoylaminocarbothioyl-piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carb oxylic acid
Property Insights of 2-(4-Benzoylaminocarbothioyl-piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carb oxylic acid
The XLogP value of 1.3465 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Benzoylaminocarbothioyl-piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carb oxylic acid. The TPSA of 120.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Benzoylaminocarbothioyl-piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carb oxylic acid. Following Lipinski's Rule of Five, 2-(4-Benzoylaminocarbothioyl-piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carb oxylic acid has 2 hydrogen bond donor(s) and 7 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-Benzoylaminocarbothioyl-piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carb oxylic acid?
The CAS number of 2-(4-Benzoylaminocarbothioyl-piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carb oxylic acid is 400828-71-9.
What is the molecular formula of 2-(4-Benzoylaminocarbothioyl-piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carb oxylic acid?
The molecular formula of 2-(4-Benzoylaminocarbothioyl-piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carb oxylic acid is C22H22N6O4S.
What is the molecular weight of 2-(4-Benzoylaminocarbothioyl-piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carb oxylic acid?
The molecular weight of 2-(4-Benzoylaminocarbothioyl-piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carb oxylic acid is 466.14 g/mol.
Where can I buy 2-(4-Benzoylaminocarbothioyl-piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carb oxylic acid?
You can request a quote for 2-(4-Benzoylaminocarbothioyl-piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carb oxylic 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-Benzoylaminocarbothioyl-piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carb oxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Benzoylaminocarbothioyl-piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carb oxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.