![2-(4-((1S,2S,4R)-bicyclo[2.2.1]heptan-2-ylcarbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid structure](/static/products/1005/1005107-78-7.webp)
2-(4-((1S,2S,4R)-bicyclo[2.2.1]heptan-2-ylcarbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
TL;DR: 2-(4-((1S,2S,4R)-bicyclo[2.2.1]heptan-2-ylcarbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid (CAS 1005107-78-7) is a chemical compound with molecular formula C22H28N6O3S and molecular weight 456.19437 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(2-bicyclo[2.2.1]heptanylcarbamothioyl)piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
Also Known As: 2-(4-((1S,2S,4R)-bicyclo[2.2.1]heptan-2-ylcarbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, 2-[4-(3-bicyclo[2.2.1]heptanylcarbamothioyl)piperazin-1-ium-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate, 2-[4-(3-bicyclo[2.2.1]heptanylcarbamothioyl)piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid, 2-[4-(bicyclo[2.2.1]hept-2-ylcarbamothioyl)piperazin-1-ium-1-yl]-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate, 2-{4-[(BICYCLO[2.2.1]HEPT-2-YLAMINO)CARBOTHIOYL]PIPERAZINO}-8-ETHYL-5-OXO-5,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID
Technical Specifications
| Molecular Formula | C22H28N6O3S |
| Molecular Weight | 456.19437 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.19437 Da |
| Heavy Atoms | 32 |
| Complexity | 813.0 |
| SMILES | CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4CC5CCC4C5)C(=O)O |
| InChIKey | GSRNCNYVXKLELZ-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-((1S,2S,4R)-bicyclo[2.2.1]heptan-2-ylcarbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Property Insights of 2-(4-((1S,2S,4R)-bicyclo[2.2.1]heptan-2-ylcarbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-((1S,2S,4R)-bicyclo[2.2.1]heptan-2-ylcarbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-((1S,2S,4R)-bicyclo[2.2.1]heptan-2-ylcarbamothioyl)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-((1S,2S,4R)-bicyclo[2.2.1]heptan-2-ylcarbamothioyl)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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(4-((1S,2S,4R)-bicyclo[2.2.1]heptan-2-ylcarbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid?
The CAS number of 2-(4-((1S,2S,4R)-bicyclo[2.2.1]heptan-2-ylcarbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid is 1005107-78-7.
What is the molecular formula of 2-(4-((1S,2S,4R)-bicyclo[2.2.1]heptan-2-ylcarbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid?
The molecular formula of 2-(4-((1S,2S,4R)-bicyclo[2.2.1]heptan-2-ylcarbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid is C22H28N6O3S.
What is the molecular weight of 2-(4-((1S,2S,4R)-bicyclo[2.2.1]heptan-2-ylcarbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid?
The molecular weight of 2-(4-((1S,2S,4R)-bicyclo[2.2.1]heptan-2-ylcarbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid is 456.19437 g/mol.
Where can I buy 2-(4-((1S,2S,4R)-bicyclo[2.2.1]heptan-2-ylcarbamothioyl)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-((1S,2S,4R)-bicyclo[2.2.1]heptan-2-ylcarbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-((1S,2S,4R)-bicyclo[2.2.1]heptan-2-ylcarbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 2-(4-((1S,2S,4R)-bicyclo[2.2.1]heptan-2-ylcarbamothioyl)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.