Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-3,7-dimethyl-4-oxo-2-(2-propenylthio)-,ethyl ester
TL;DR: Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-3,7-dimethyl-4-oxo-2-(2-propenylthio)-,ethyl ester (CAS 126596-45-0) is a chemical compound with molecular formula C15H17N3O3S and molecular weight 319.09906 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3,7-dimethyl-4-oxo-2-prop-2-enylsulfanylpyrido[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-(2-propenylthio)-,ethyl ester, ethyl 3,7-dimethyl-4-oxo-2-prop-2-enylsulfanylpyrido[2,3-d]pyrimidine-5-carboxylate, Pyrido[2,3-d]pyrimidine-5-carboxylicacid, 3,4-dihydro-3,7-dimethyl-4-oxo-2-(2-propen-1-ylthio)-, ethyl ester, (E)-(3S,6R,12S,16R,18S)-6-(3-Bromo-4-hydroxy-benzyl)-3,7,12,14,16,18-hexamethyl-1-oxa-4,7,10-triaza-cyclooctadec-14-ene-2,5,8,11-tetraone, 3,4-Dihydro-3,7-dimethyl-4-oxo-2-allylthiopyrido[2,3-d]pyrimidine-5-carboxylic acid ethyl ester
Technical Specifications
| Molecular Formula | C15H17N3O3S |
| Molecular Weight | 319.09906 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 97.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 319.09906 Da |
| Heavy Atoms | 22 |
| Complexity | 494.0 |
| SMILES | CCOC(=O)C1=C2C(=NC(=C1)C)N=C(N(C2=O)C)SCC=C |
| InChIKey | BLEBCMJGSNWUPW-UHFFFAOYSA-N |
Chemical Property Profile of Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-3,7-dimethyl-4-oxo-2-(2-propenylthio)-,ethyl ester
Property Insights of Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-3,7-dimethyl-4-oxo-2-(2-propenylthio)-,ethyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-3,7-dimethyl-4-oxo-2-(2-propenylthio)-,ethyl ester. The TPSA of 97.2 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-(2-propenylthio)-,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-(2-propenylthio)-,ethyl ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
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-(2-propenylthio)-,ethyl ester?
The CAS number of Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-3,7-dimethyl-4-oxo-2-(2-propenylthio)-,ethyl ester is 126596-45-0.
What is the molecular formula of Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-3,7-dimethyl-4-oxo-2-(2-propenylthio)-,ethyl ester?
The molecular formula of Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-3,7-dimethyl-4-oxo-2-(2-propenylthio)-,ethyl ester is C15H17N3O3S.
What is the molecular weight of Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-3,7-dimethyl-4-oxo-2-(2-propenylthio)-,ethyl ester?
The molecular weight of Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-3,7-dimethyl-4-oxo-2-(2-propenylthio)-,ethyl ester is 319.09906 g/mol.
Where can I buy Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-3,7-dimethyl-4-oxo-2-(2-propenylthio)-,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-(2-propenylthio)-,ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-3,7-dimethyl-4-oxo-2-(2-propenylthio)-,ethyl ester?
Yes, CoreyChem provides custom synthesis services for Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-3,7-dimethyl-4-oxo-2-(2-propenylthio)-,ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.