5-(2-ethoxybenzyl)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: 5-(2-ethoxybenzyl)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 899412-52-3) is a chemical compound with molecular formula C25H22N2O3S and molecular weight 430.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-ethoxyphenyl)methyl]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 5-(2-ethoxybenzyl)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[(2-ethoxyphenyl)methyl]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C25H22N2O3S |
|---|---|
| Molecular Weight | 430.14 g/mol |
| LogP | 4.6089 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.1351 |
| Heavy Atoms | 31 |
| Complexity | 1040.5195 |
Chemical Identifiers
| CAS Number | 899412-52-3 |
|---|---|
| SMILES | CCOC1=CC=CC=C1CC2C(=O)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
5-(2-ethoxybenzyl)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 899412-52-3), with molecular formula C25H22N2O3S and molecular weight 430.14 g/mol. IUPAC: 5-[(2-ethoxyphenyl)methyl]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-(2-ethoxybenzyl)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of 5-(2-ethoxybenzyl)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 4.6089 indicates that 5-(2-ethoxybenzyl)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.85 Ų, 5-(2-ethoxybenzyl)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-ethoxybenzyl)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 0 hydrogen bond donor(s) and 4 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-(2-ethoxybenzyl)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of 5-(2-ethoxybenzyl)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 899412-52-3.
What is the molecular formula of 5-(2-ethoxybenzyl)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of 5-(2-ethoxybenzyl)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C25H22N2O3S.
What is the molecular weight of 5-(2-ethoxybenzyl)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of 5-(2-ethoxybenzyl)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 430.14 g/mol.
Where can I buy 5-(2-ethoxybenzyl)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for 5-(2-ethoxybenzyl)-1,3-diphenyl-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-(2-ethoxybenzyl)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-ethoxybenzyl)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.