![8-ethyl-5-oxo-2-[4-[(4-phenylmethoxyphenyl)carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid structure](/static/products/4888/488812-95-9.webp)
8-ethyl-5-oxo-2-[4-[(4-phenylmethoxyphenyl)carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid
TL;DR: 8-ethyl-5-oxo-2-[4-[(4-phenylmethoxyphenyl)carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid (CAS 488812-95-9) is a chemical compound with molecular formula C28H28N6O4S and molecular weight 544.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-ethyl-5-oxo-2-[4-[(4-phenylmethoxyphenyl)carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid
Also Known As: 8-ethyl-5-oxo-2-[4-[(4-phenylmethoxyphenyl)carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid, 2-(4-((4-(benzyloxy)phenyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, 2-(4-{[4-(benzyloxy)phenyl]carbamothioyl}piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, 2-(4-{[4-(BENZYLOXY)PHENYL]CARBAMOTHIOYL}PIPERAZIN-1-YL)-8-ETHYL-5-OXO-5H,8H-PYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID
| Molecular Formula | C28H28N6O4S |
|---|---|
| Molecular Weight | 544.19 g/mol |
| LogP | 3.6076 |
| Topological Polar Surface Area | 112.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 544.1893 |
| Heavy Atoms | 39 |
| Complexity | 1550.6252 |
Chemical Identifiers
| CAS Number | 488812-95-9 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)O |
Product Overview
8-ethyl-5-oxo-2-[4-[(4-phenylmethoxyphenyl)carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid (CAS 488812-95-9), with molecular formula C28H28N6O4S and molecular weight 544.19 g/mol. IUPAC: 8-ethyl-5-oxo-2-[4-[(4-phenylmethoxyphenyl)carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid.
Chemical Property Profile of 8-ethyl-5-oxo-2-[4-[(4-phenylmethoxyphenyl)carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid
Property Insights of 8-ethyl-5-oxo-2-[4-[(4-phenylmethoxyphenyl)carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid
The XLogP value of 3.6076 indicates that 8-ethyl-5-oxo-2-[4-[(4-phenylmethoxyphenyl)carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-ethyl-5-oxo-2-[4-[(4-phenylmethoxyphenyl)carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid. Following Lipinski's Rule of Five, 8-ethyl-5-oxo-2-[4-[(4-phenylmethoxyphenyl)carbamothioyl]piperazin-1-yl]pyrido[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 8-ethyl-5-oxo-2-[4-[(4-phenylmethoxyphenyl)carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid?
The CAS number of 8-ethyl-5-oxo-2-[4-[(4-phenylmethoxyphenyl)carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid is 488812-95-9.
What is the molecular formula of 8-ethyl-5-oxo-2-[4-[(4-phenylmethoxyphenyl)carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid?
The molecular formula of 8-ethyl-5-oxo-2-[4-[(4-phenylmethoxyphenyl)carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid is C28H28N6O4S.
What is the molecular weight of 8-ethyl-5-oxo-2-[4-[(4-phenylmethoxyphenyl)carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid?
The molecular weight of 8-ethyl-5-oxo-2-[4-[(4-phenylmethoxyphenyl)carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid is 544.19 g/mol.
Where can I buy 8-ethyl-5-oxo-2-[4-[(4-phenylmethoxyphenyl)carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid?
You can request a quote for 8-ethyl-5-oxo-2-[4-[(4-phenylmethoxyphenyl)carbamothioyl]piperazin-1-yl]pyrido[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-5-oxo-2-[4-[(4-phenylmethoxyphenyl)carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 8-ethyl-5-oxo-2-[4-[(4-phenylmethoxyphenyl)carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.