![methyl 7-isopropyl-2-mercapto-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate structure](/static/products/885/885461-05-2.png)
methyl 7-isopropyl-2-mercapto-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
TL;DR: methyl 7-isopropyl-2-mercapto-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate (CAS 885461-05-2) is a chemical compound with molecular formula C12H13N3O3S and molecular weight 279.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-oxo-7-propan-2-yl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidine-5-carboxylate
Also Known As: methyl 7-isopropyl-2-mercapto-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate, methyl 4-oxo-7-(propan-2-yl)-2-sulfanyl-3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate, methyl 4-oxo-7-propan-2-yl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidine-5-carboxylate, methyl 7-(methylethyl)-4-oxo-2-thioxo-1,3-dihydropyridino[2,3-d]pyrimidine-5-c arboxylate, methyl7-isopropyl-2-mercapto-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
| Molecular Formula | C12H13N3O3S |
|---|---|
| Molecular Weight | 279.07 g/mol |
| LogP | 1.89069 |
| Topological Polar Surface Area | 87.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.06775 |
| Heavy Atoms | 19 |
| Complexity | 760.88416 |
Chemical Identifiers
| CAS Number | 885461-05-2 |
|---|---|
| SMILES | CC(C)C1=NC2=C(C(=C1)C(=O)OC)C(=O)NC(=S)N2 |
Product Overview
methyl 7-isopropyl-2-mercapto-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate (CAS 885461-05-2), with molecular formula C12H13N3O3S and molecular weight 279.07 g/mol. IUPAC: methyl 4-oxo-7-propan-2-yl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidine-5-carboxylate.
Chemical Property Profile of methyl 7-isopropyl-2-mercapto-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
Property Insights of methyl 7-isopropyl-2-mercapto-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
The XLogP value of 1.89069 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 7-isopropyl-2-mercapto-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate. The TPSA of 87.84 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 7-isopropyl-2-mercapto-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, methyl 7-isopropyl-2-mercapto-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate has 2 hydrogen bond donor(s) and 5 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 methyl 7-isopropyl-2-mercapto-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate?
The CAS number of methyl 7-isopropyl-2-mercapto-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate is 885461-05-2.
What is the molecular formula of methyl 7-isopropyl-2-mercapto-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate?
The molecular formula of methyl 7-isopropyl-2-mercapto-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate is C12H13N3O3S.
What is the molecular weight of methyl 7-isopropyl-2-mercapto-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate?
The molecular weight of methyl 7-isopropyl-2-mercapto-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate is 279.07 g/mol.
Where can I buy methyl 7-isopropyl-2-mercapto-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate?
You can request a quote for methyl 7-isopropyl-2-mercapto-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 7-isopropyl-2-mercapto-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 7-isopropyl-2-mercapto-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.