![2-(4-((3,4-difluorobenzoyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid structure](/static/products/369/369404-09-1.png)
2-(4-((3,4-difluorobenzoyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
TL;DR: 2-(4-((3,4-difluorobenzoyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid (CAS 369404-09-1) is a chemical compound with molecular formula C22H20F2N6O4S and molecular weight 502.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(3,4-difluorobenzoyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
Also Known As: 2-(4-((3,4-difluorobenzoyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, 2-(4-{[(3,4-difluorophenyl)carbonyl]carbamothioyl}piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, 2-(4-{[(3,4-DIFLUOROPHENYL)FORMAMIDO]METHANETHIOYL}PIPERAZIN-1-YL)-8-ETHYL-5-OXO-5H,8H-PYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID, 2-[4-[(3,4-difluorobenzoyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid, 2-[4-[(3,4-difluorobenzoyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
| Molecular Formula | C22H20F2N6O4S |
|---|---|
| Molecular Weight | 502.12 g/mol |
| LogP | 1.6247 |
| Topological Polar Surface Area | 120.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 502.12347 |
| Heavy Atoms | 35 |
| Complexity | 1404.6918 |
Chemical Identifiers
| CAS Number | 369404-09-1 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC(=C(C=C4)F)F)C(=O)O |
Product Overview
2-(4-((3,4-difluorobenzoyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid (CAS 369404-09-1), with molecular formula C22H20F2N6O4S and molecular weight 502.12 g/mol. IUPAC: 2-[4-[(3,4-difluorobenzoyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid.
Chemical Property Profile of 2-(4-((3,4-difluorobenzoyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Property Insights of 2-(4-((3,4-difluorobenzoyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
The XLogP value of 1.6247 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-((3,4-difluorobenzoyl)carbamothioyl)piperazin-1-yl)-8-ethyl-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 2-(4-((3,4-difluorobenzoyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid. Following Lipinski's Rule of Five, 2-(4-((3,4-difluorobenzoyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-((3,4-difluorobenzoyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid?
The CAS number of 2-(4-((3,4-difluorobenzoyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid is 369404-09-1.
What is the molecular formula of 2-(4-((3,4-difluorobenzoyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid?
The molecular formula of 2-(4-((3,4-difluorobenzoyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid is C22H20F2N6O4S.
What is the molecular weight of 2-(4-((3,4-difluorobenzoyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid?
The molecular weight of 2-(4-((3,4-difluorobenzoyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid is 502.12 g/mol.
Where can I buy 2-(4-((3,4-difluorobenzoyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid?
You can request a quote for 2-(4-((3,4-difluorobenzoyl)carbamothioyl)piperazin-1-yl)-8-ethyl-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 2-(4-((3,4-difluorobenzoyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-((3,4-difluorobenzoyl)carbamothioyl)piperazin-1-yl)-8-ethyl-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.