![1,3-Diethyl-5-[[[5-(ethylsulfonyl)-2-hydroxyphenyl]amino]methylene]dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione structure](/static/products/851/851114-49-3.png)
1,3-Diethyl-5-[[[5-(ethylsulfonyl)-2-hydroxyphenyl]amino]methylene]dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione
TL;DR: 1,3-Diethyl-5-[[[5-(ethylsulfonyl)-2-hydroxyphenyl]amino]methylene]dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione (CAS 851114-49-3) is a chemical compound with molecular formula C17H21N3O5S2 and molecular weight 411.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diethyl-5-[(5-ethylsulfonyl-2-hydroxyphenyl)iminomethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one
Also Known As: 1,3-Diethyl-5-[[[5-(ethylsulfonyl)-2-hydroxyphenyl]amino]methylene]dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione, 1,3-diethyl-5-[(5-ethylsulfonyl-2-hydroxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C17H21N3O5S2 |
|---|---|
| Molecular Weight | 411.09 g/mol |
| LogP | 2.37449 |
| Topological Polar Surface Area | 113.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.09225 |
| Heavy Atoms | 27 |
| Complexity | 1114.6095 |
Chemical Identifiers
| CAS Number | 851114-49-3 |
|---|---|
| SMILES | CCN1C(=C(C(=O)N(C1=S)CC)C=NC2=C(C=CC(=C2)S(=O)(=O)CC)O)O |
Product Overview
1,3-Diethyl-5-[[[5-(ethylsulfonyl)-2-hydroxyphenyl]amino]methylene]dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione (CAS 851114-49-3), with molecular formula C17H21N3O5S2 and molecular weight 411.09 g/mol. IUPAC: 1,3-diethyl-5-[(5-ethylsulfonyl-2-hydroxyphenyl)iminomethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 1,3-Diethyl-5-[[[5-(ethylsulfonyl)-2-hydroxyphenyl]amino]methylene]dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione
Property Insights of 1,3-Diethyl-5-[[[5-(ethylsulfonyl)-2-hydroxyphenyl]amino]methylene]dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione
The XLogP value of 2.37449 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diethyl-5-[[[5-(ethylsulfonyl)-2-hydroxyphenyl]amino]methylene]dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione. The TPSA of 113.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Diethyl-5-[[[5-(ethylsulfonyl)-2-hydroxyphenyl]amino]methylene]dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione. Following Lipinski's Rule of Five, 1,3-Diethyl-5-[[[5-(ethylsulfonyl)-2-hydroxyphenyl]amino]methylene]dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione has 2 hydrogen bond donor(s) and 7 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 1,3-Diethyl-5-[[[5-(ethylsulfonyl)-2-hydroxyphenyl]amino]methylene]dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione?
The CAS number of 1,3-Diethyl-5-[[[5-(ethylsulfonyl)-2-hydroxyphenyl]amino]methylene]dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione is 851114-49-3.
What is the molecular formula of 1,3-Diethyl-5-[[[5-(ethylsulfonyl)-2-hydroxyphenyl]amino]methylene]dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione?
The molecular formula of 1,3-Diethyl-5-[[[5-(ethylsulfonyl)-2-hydroxyphenyl]amino]methylene]dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione is C17H21N3O5S2.
What is the molecular weight of 1,3-Diethyl-5-[[[5-(ethylsulfonyl)-2-hydroxyphenyl]amino]methylene]dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione?
The molecular weight of 1,3-Diethyl-5-[[[5-(ethylsulfonyl)-2-hydroxyphenyl]amino]methylene]dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione is 411.09 g/mol.
Where can I buy 1,3-Diethyl-5-[[[5-(ethylsulfonyl)-2-hydroxyphenyl]amino]methylene]dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione?
You can request a quote for 1,3-Diethyl-5-[[[5-(ethylsulfonyl)-2-hydroxyphenyl]amino]methylene]dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diethyl-5-[[[5-(ethylsulfonyl)-2-hydroxyphenyl]amino]methylene]dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diethyl-5-[[[5-(ethylsulfonyl)-2-hydroxyphenyl]amino]methylene]dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.