5-(4-methoxyphenethyl)-5-(2-(pyridin-4-yl)ethyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: 5-(4-methoxyphenethyl)-5-(2-(pyridin-4-yl)ethyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 672322-92-8) is a chemical compound with molecular formula C20H21N3O3S and molecular weight 383.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(4-methoxyphenyl)ethyl]-5-(2-pyridin-4-ylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 5-(4-methoxyphenethyl)-5-(2-(pyridin-4-yl)ethyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[2-(4-methoxyphenyl)ethyl]-5-(2-pyridin-4-ylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, 6-hydroxy-5-[2-(4-methoxyphenyl)ethyl]-5-[2-(pyridin-4-yl)ethyl]-2-sulfanylpyrimidin-4(5H)-one
| Molecular Formula | C20H21N3O3S |
|---|---|
| Molecular Weight | 383.13 g/mol |
| LogP | 2.1729 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 383.13037 |
| Heavy Atoms | 27 |
| Complexity | 817.31024 |
Chemical Identifiers
| CAS Number | 672322-92-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CCC2(C(=O)NC(=S)NC2=O)CCC3=CC=NC=C3 |
Product Overview
5-(4-methoxyphenethyl)-5-(2-(pyridin-4-yl)ethyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 672322-92-8), with molecular formula C20H21N3O3S and molecular weight 383.13 g/mol. IUPAC: 5-[2-(4-methoxyphenyl)ethyl]-5-(2-pyridin-4-ylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-(4-methoxyphenethyl)-5-(2-(pyridin-4-yl)ethyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of 5-(4-methoxyphenethyl)-5-(2-(pyridin-4-yl)ethyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 2.1729 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-methoxyphenethyl)-5-(2-(pyridin-4-yl)ethyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. The TPSA of 80.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-methoxyphenethyl)-5-(2-(pyridin-4-yl)ethyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, 5-(4-methoxyphenethyl)-5-(2-(pyridin-4-yl)ethyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione 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 5-(4-methoxyphenethyl)-5-(2-(pyridin-4-yl)ethyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of 5-(4-methoxyphenethyl)-5-(2-(pyridin-4-yl)ethyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 672322-92-8.
What is the molecular formula of 5-(4-methoxyphenethyl)-5-(2-(pyridin-4-yl)ethyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of 5-(4-methoxyphenethyl)-5-(2-(pyridin-4-yl)ethyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C20H21N3O3S.
What is the molecular weight of 5-(4-methoxyphenethyl)-5-(2-(pyridin-4-yl)ethyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of 5-(4-methoxyphenethyl)-5-(2-(pyridin-4-yl)ethyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 383.13 g/mol.
Where can I buy 5-(4-methoxyphenethyl)-5-(2-(pyridin-4-yl)ethyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for 5-(4-methoxyphenethyl)-5-(2-(pyridin-4-yl)ethyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-methoxyphenethyl)-5-(2-(pyridin-4-yl)ethyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-methoxyphenethyl)-5-(2-(pyridin-4-yl)ethyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.