![3-[3-[4-(4-methoxyphenyl)-1-piperazinyl]propyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one structure](/static/products/6887/688793-29-5.webp)
3-[3-[4-(4-methoxyphenyl)-1-piperazinyl]propyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
TL;DR: 3-[3-[4-(4-methoxyphenyl)-1-piperazinyl]propyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one (CAS 688793-29-5) is a chemical compound with molecular formula C21H25N5O2S and molecular weight 411.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
Also Known As: 3-[3-[4-(4-methoxyphenyl)-1-piperazinyl]propyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one, 3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one, 3-[3-[4-(4-methoxyphenyl)piperazino]propyl]-2-thioxo-1H-pyrido[2,3-d]pyrimidin-4-one, 3-(3-(4-(4-methoxyphenyl)piperazin-1-yl)propyl)-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one, 3-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-2-sulfanylidene-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-4-one
| Molecular Formula | C21H25N5O2S |
|---|---|
| Molecular Weight | 411.17 g/mol |
| LogP | 2.67499 |
| Topological Polar Surface Area | 66.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.17288 |
| Heavy Atoms | 29 |
| Complexity | 1084.662 |
Chemical Identifiers
| CAS Number | 688793-29-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2CCN(CC2)CCCN3C(=O)C4=C(NC3=S)N=CC=C4 |
Product Overview
3-[3-[4-(4-methoxyphenyl)-1-piperazinyl]propyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one (CAS 688793-29-5), with molecular formula C21H25N5O2S and molecular weight 411.17 g/mol. IUPAC: 3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 3-[3-[4-(4-methoxyphenyl)-1-piperazinyl]propyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
Property Insights of 3-[3-[4-(4-methoxyphenyl)-1-piperazinyl]propyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
The XLogP value of 2.67499 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[3-[4-(4-methoxyphenyl)-1-piperazinyl]propyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one. The TPSA of 66.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3-[4-(4-methoxyphenyl)-1-piperazinyl]propyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one. Following Lipinski's Rule of Five, 3-[3-[4-(4-methoxyphenyl)-1-piperazinyl]propyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one has 1 hydrogen bond donor(s) and 6 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 3-[3-[4-(4-methoxyphenyl)-1-piperazinyl]propyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one?
The CAS number of 3-[3-[4-(4-methoxyphenyl)-1-piperazinyl]propyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one is 688793-29-5.
What is the molecular formula of 3-[3-[4-(4-methoxyphenyl)-1-piperazinyl]propyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one?
The molecular formula of 3-[3-[4-(4-methoxyphenyl)-1-piperazinyl]propyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one is C21H25N5O2S.
What is the molecular weight of 3-[3-[4-(4-methoxyphenyl)-1-piperazinyl]propyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one?
The molecular weight of 3-[3-[4-(4-methoxyphenyl)-1-piperazinyl]propyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one is 411.17 g/mol.
Where can I buy 3-[3-[4-(4-methoxyphenyl)-1-piperazinyl]propyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one?
You can request a quote for 3-[3-[4-(4-methoxyphenyl)-1-piperazinyl]propyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3-[4-(4-methoxyphenyl)-1-piperazinyl]propyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-[4-(4-methoxyphenyl)-1-piperazinyl]propyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.