![2-(4-((9H-xanthene-9-carbonyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid structure](/static/products/6966/696624-22-3.webp)
2-(4-((9H-xanthene-9-carbonyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
TL;DR: 2-(4-((9H-xanthene-9-carbonyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid (CAS 696624-22-3) is a chemical compound with molecular formula C29H26N6O5S and molecular weight 570.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-ethyl-5-oxo-2-[4-(9H-xanthene-9-carbonylcarbamothioyl)piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid
Also Known As: 2-(4-((9H-xanthene-9-carbonyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, 8-ethyl-5-oxo-2-[4-(9H-xanthene-9-carbonylcarbamothioyl)piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid, 2-(4-(9H-xanthene-9-carbonylcarbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, 8-ETHYL-5-OXO-2-(4-{[(9H-XANTHEN-9-YLCARBONYL)AMINO]CARBOTHIOYL}PIPERAZINO)-5,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID, 8-ethyl-5-oxo-2-{4-[(9H-xanthen-9-ylcarbonyl)carbamothioyl]piperazin-1-yl}-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
| Molecular Formula | C29H26N6O5S |
|---|---|
| Molecular Weight | 570.17 g/mol |
| LogP | 2.9705 |
| Topological Polar Surface Area | 129.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 570.1685 |
| Heavy Atoms | 41 |
| Complexity | 1719.1392 |
Chemical Identifiers
| CAS Number | 696624-22-3 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(=O)C4C5=CC=CC=C5OC6=CC=CC=C46)C(=O)O |
Product Overview
2-(4-((9H-xanthene-9-carbonyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid (CAS 696624-22-3), with molecular formula C29H26N6O5S and molecular weight 570.17 g/mol. IUPAC: 8-ethyl-5-oxo-2-[4-(9H-xanthene-9-carbonylcarbamothioyl)piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid.
Chemical Property Profile of 2-(4-((9H-xanthene-9-carbonyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Property Insights of 2-(4-((9H-xanthene-9-carbonyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
The XLogP value of 2.9705 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-((9H-xanthene-9-carbonyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid. The TPSA of 129.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-((9H-xanthene-9-carbonyl)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-((9H-xanthene-9-carbonyl)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 8 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-((9H-xanthene-9-carbonyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid?
The CAS number of 2-(4-((9H-xanthene-9-carbonyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid is 696624-22-3.
What is the molecular formula of 2-(4-((9H-xanthene-9-carbonyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid?
The molecular formula of 2-(4-((9H-xanthene-9-carbonyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid is C29H26N6O5S.
What is the molecular weight of 2-(4-((9H-xanthene-9-carbonyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid?
The molecular weight of 2-(4-((9H-xanthene-9-carbonyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid is 570.17 g/mol.
Where can I buy 2-(4-((9H-xanthene-9-carbonyl)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-((9H-xanthene-9-carbonyl)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-((9H-xanthene-9-carbonyl)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-((9H-xanthene-9-carbonyl)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.