![2-(4-(((3r,5r,7r)-adamantane-1-carbonyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid structure](/static/products/632/632299-42-4.png)
2-(4-(((3r,5r,7r)-adamantane-1-carbonyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
TL;DR: 2-(4-(((3r,5r,7r)-adamantane-1-carbonyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid (CAS 632299-42-4) is a chemical compound with molecular formula C26H32N6O4S and molecular weight 524.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(adamantane-1-carbonylcarbamothioyl)piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
Also Known As: 2-(4-(((3r,5r,7r)-adamantane-1-carbonyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, 2-(4-{[(1-ADAMANTYLCARBONYL)AMINO]CARBOTHIOYL}PIPERAZINO)-8-ETHYL-5-OXO-5,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID, 2-[4-(adamantane-1-carbonylcarbamothioyl)piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid, 8-ethyl-5-oxo-2-{4-[(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)carbamothioyl]piperazin-1-yl}-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
| Molecular Formula | C26H32N6O4S |
|---|---|
| Molecular Weight | 524.22 g/mol |
| LogP | 2.2491 |
| Topological Polar Surface Area | 120.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 524.2206 |
| Heavy Atoms | 37 |
| Complexity | 1313.2784 |
Chemical Identifiers
| CAS Number | 632299-42-4 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(=O)C45CC6CC(C4)CC(C6)C5)C(=O)O |
Product Overview
2-(4-(((3r,5r,7r)-adamantane-1-carbonyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid (CAS 632299-42-4), with molecular formula C26H32N6O4S and molecular weight 524.22 g/mol. IUPAC: 2-[4-(adamantane-1-carbonylcarbamothioyl)piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid.
Chemical Property Profile of 2-(4-(((3r,5r,7r)-adamantane-1-carbonyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Property Insights of 2-(4-(((3r,5r,7r)-adamantane-1-carbonyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
The XLogP value of 2.2491 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-(((3r,5r,7r)-adamantane-1-carbonyl)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-(((3r,5r,7r)-adamantane-1-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-(((3r,5r,7r)-adamantane-1-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 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-(((3r,5r,7r)-adamantane-1-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-(((3r,5r,7r)-adamantane-1-carbonyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid is 632299-42-4.
What is the molecular formula of 2-(4-(((3r,5r,7r)-adamantane-1-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-(((3r,5r,7r)-adamantane-1-carbonyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid is C26H32N6O4S.
What is the molecular weight of 2-(4-(((3r,5r,7r)-adamantane-1-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-(((3r,5r,7r)-adamantane-1-carbonyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid is 524.22 g/mol.
Where can I buy 2-(4-(((3r,5r,7r)-adamantane-1-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-(((3r,5r,7r)-adamantane-1-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-(((3r,5r,7r)-adamantane-1-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-(((3r,5r,7r)-adamantane-1-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.