![8-ethyl-2-(4-{[(3-methylphenyl)carbonyl]carbamothioyl}piperazin-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid structure](/static/products/848/848994-05-8.png)
8-ethyl-2-(4-{[(3-methylphenyl)carbonyl]carbamothioyl}piperazin-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
TL;DR: 8-ethyl-2-(4-{[(3-methylphenyl)carbonyl]carbamothioyl}piperazin-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid (CAS 848994-05-8) is a chemical compound with molecular formula C23H24N6O4S and molecular weight 480.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-ethyl-2-[4-[(3-methylbenzoyl)carbamothioyl]piperazin-1-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
Also Known As: 8-ethyl-2-(4-{[(3-methylphenyl)carbonyl]carbamothioyl}piperazin-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, 8-ethyl-2-(4-((3-methylbenzoyl)carbamothioyl)piperazin-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, 8-ethyl-2-[4-[(3-methylbenzoyl)carbamothioyl]piperazin-1-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
| Molecular Formula | C23H24N6O4S |
|---|---|
| Molecular Weight | 480.16 g/mol |
| LogP | 1.65492 |
| Topological Polar Surface Area | 120.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 480.158 |
| Heavy Atoms | 34 |
| Complexity | 1347.03 |
Chemical Identifiers
| CAS Number | 848994-05-8 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC=CC(=C4)C)C(=O)O |
Product Overview
8-ethyl-2-(4-{[(3-methylphenyl)carbonyl]carbamothioyl}piperazin-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid (CAS 848994-05-8), with molecular formula C23H24N6O4S and molecular weight 480.16 g/mol. IUPAC: 8-ethyl-2-[4-[(3-methylbenzoyl)carbamothioyl]piperazin-1-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid.
Chemical Property Profile of 8-ethyl-2-(4-{[(3-methylphenyl)carbonyl]carbamothioyl}piperazin-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Property Insights of 8-ethyl-2-(4-{[(3-methylphenyl)carbonyl]carbamothioyl}piperazin-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
The XLogP value of 1.65492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-ethyl-2-(4-{[(3-methylphenyl)carbonyl]carbamothioyl}piperazin-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid. The TPSA of 120.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-ethyl-2-(4-{[(3-methylphenyl)carbonyl]carbamothioyl}piperazin-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid. Following Lipinski's Rule of Five, 8-ethyl-2-(4-{[(3-methylphenyl)carbonyl]carbamothioyl}piperazin-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic 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 8-ethyl-2-(4-{[(3-methylphenyl)carbonyl]carbamothioyl}piperazin-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid?
The CAS number of 8-ethyl-2-(4-{[(3-methylphenyl)carbonyl]carbamothioyl}piperazin-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid is 848994-05-8.
What is the molecular formula of 8-ethyl-2-(4-{[(3-methylphenyl)carbonyl]carbamothioyl}piperazin-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid?
The molecular formula of 8-ethyl-2-(4-{[(3-methylphenyl)carbonyl]carbamothioyl}piperazin-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid is C23H24N6O4S.
What is the molecular weight of 8-ethyl-2-(4-{[(3-methylphenyl)carbonyl]carbamothioyl}piperazin-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid?
The molecular weight of 8-ethyl-2-(4-{[(3-methylphenyl)carbonyl]carbamothioyl}piperazin-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid is 480.16 g/mol.
Where can I buy 8-ethyl-2-(4-{[(3-methylphenyl)carbonyl]carbamothioyl}piperazin-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid?
You can request a quote for 8-ethyl-2-(4-{[(3-methylphenyl)carbonyl]carbamothioyl}piperazin-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-ethyl-2-(4-{[(3-methylphenyl)carbonyl]carbamothioyl}piperazin-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 8-ethyl-2-(4-{[(3-methylphenyl)carbonyl]carbamothioyl}piperazin-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.