Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-3,7-dimethyl-4-oxo-2-((3-(4-phenyl-1-piperazinyl)propyl)thio)-, ethyl ester
TL;DR: Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-3,7-dimethyl-4-oxo-2-((3-(4-phenyl-1-piperazinyl)propyl)thio)-, ethyl ester (CAS 147296-96-6) is a chemical compound with molecular formula C25H31N5O3S and molecular weight 481.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,7-dimethyl-4-oxo-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]pyrido[2,3-d]pyrimidine-5-carboxylate
Also Known As: Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-3,7-dimethyl-4-oxo-2-((3-(4-phenyl-1-piperazinyl)propyl)thio)-, ethyl ester, 3,4-Dihydro-3,7-dimethyl-4-oxo-2-[3-(4-phenylpiperazin-1-yl)propyl]thiopyrido[2,3-d]pyrimidine-5-carboxylic acid ethyl ester, ethyl 3,7-dimethyl-4-oxo-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]pyrido[2,3-d]pyrimidine-5-carboxylate, Ethyl 3,7-dimethyl-4-oxo-2-{[3-(4-phenylpiperazin-1-yl)propyl]sulfanyl}-3,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate, ethyl 3,7-dimethyl-4-oxo-2-{[3-(4-phenylpiperazin-1-yl)propyl]sulfanyl}-3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate
| Molecular Formula | C25H31N5O3S |
|---|---|
| Molecular Weight | 481.21 g/mol |
| LogP | 3.11802 |
| Topological Polar Surface Area | 80.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 481.21475 |
| Heavy Atoms | 34 |
| Complexity | 1206.637 |
Chemical Identifiers
| CAS Number | 147296-96-6 |
|---|---|
| SMILES | CCOC(=O)C1=C2C(=NC(=C1)C)N=C(N(C2=O)C)SCCCN3CCN(CC3)C4=CC=CC=C4 |
Product Overview
Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-3,7-dimethyl-4-oxo-2-((3-(4-phenyl-1-piperazinyl)propyl)thio)-, ethyl ester (CAS 147296-96-6), with molecular formula C25H31N5O3S and molecular weight 481.21 g/mol. IUPAC: ethyl 3,7-dimethyl-4-oxo-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]pyrido[2,3-d]pyrimidine-5-carboxylate.
Chemical Property Profile of Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-3,7-dimethyl-4-oxo-2-((3-(4-phenyl-1-piperazinyl)propyl)thio)-, ethyl ester
Property Insights of Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-3,7-dimethyl-4-oxo-2-((3-(4-phenyl-1-piperazinyl)propyl)thio)-, ethyl ester
The XLogP value of 3.11802 indicates that Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-3,7-dimethyl-4-oxo-2-((3-(4-phenyl-1-piperazinyl)propyl)thio)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.56 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-3,7-dimethyl-4-oxo-2-((3-(4-phenyl-1-piperazinyl)propyl)thio)-, ethyl ester. Following Lipinski's Rule of Five, Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-3,7-dimethyl-4-oxo-2-((3-(4-phenyl-1-piperazinyl)propyl)thio)-, ethyl ester has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-3,7-dimethyl-4-oxo-2-((3-(4-phenyl-1-piperazinyl)propyl)thio)-, ethyl ester?
The CAS number of Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-3,7-dimethyl-4-oxo-2-((3-(4-phenyl-1-piperazinyl)propyl)thio)-, ethyl ester is 147296-96-6.
What is the molecular formula of Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-3,7-dimethyl-4-oxo-2-((3-(4-phenyl-1-piperazinyl)propyl)thio)-, ethyl ester?
The molecular formula of Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-3,7-dimethyl-4-oxo-2-((3-(4-phenyl-1-piperazinyl)propyl)thio)-, ethyl ester is C25H31N5O3S.
What is the molecular weight of Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-3,7-dimethyl-4-oxo-2-((3-(4-phenyl-1-piperazinyl)propyl)thio)-, ethyl ester?
The molecular weight of Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-3,7-dimethyl-4-oxo-2-((3-(4-phenyl-1-piperazinyl)propyl)thio)-, ethyl ester is 481.21 g/mol.
Where can I buy Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-3,7-dimethyl-4-oxo-2-((3-(4-phenyl-1-piperazinyl)propyl)thio)-, ethyl ester?
You can request a quote for Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-3,7-dimethyl-4-oxo-2-((3-(4-phenyl-1-piperazinyl)propyl)thio)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-3,7-dimethyl-4-oxo-2-((3-(4-phenyl-1-piperazinyl)propyl)thio)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-3,7-dimethyl-4-oxo-2-((3-(4-phenyl-1-piperazinyl)propyl)thio)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.