3-((6-HO-2-Mercapto-4-pyrimidinyl)amino)-1-(4-methoxyphenyl)2,5-pyrrolidinedione
TL;DR: 3-((6-HO-2-Mercapto-4-pyrimidinyl)amino)-1-(4-methoxyphenyl)2,5-pyrrolidinedione (CAS 307941-62-4) is a chemical compound with molecular formula C15H14N4O4S and molecular weight 346.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-3-[(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)amino]pyrrolidine-2,5-dione
Also Known As: 3-((6-HO-2-MERCAPTO-4-PYRIMIDINYL)AMINO)-1-(4-METHOXYPHENYL)2,5-PYRROLIDINEDIONE, 1-(4-Methoxyphenyl)-3-((6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-yl)amino)pyrrolidine-2,5-dione, 1-(4-methoxyphenyl)-3-[(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)amino]pyrrolidine-2,5-dione, 1-(4-methoxyphenyl)-3-[(6-oxo-2-sulfanylidene-3H-pyrimidin-4-yl)amino]pyrrolidine-2,5-dione, 663-887-9
| Molecular Formula | C15H14N4O4S |
|---|---|
| Molecular Weight | 346.07 g/mol |
| LogP | 1.18509 |
| Topological Polar Surface Area | 107.29 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.07358 |
| Heavy Atoms | 24 |
| Complexity | 874.43036 |
Chemical Identifiers
| CAS Number | 307941-62-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)CC(C2=O)NC3=CC(=O)NC(=S)N3 |
Product Overview
3-((6-HO-2-Mercapto-4-pyrimidinyl)amino)-1-(4-methoxyphenyl)2,5-pyrrolidinedione (CAS 307941-62-4), with molecular formula C15H14N4O4S and molecular weight 346.07 g/mol. IUPAC: 1-(4-methoxyphenyl)-3-[(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)amino]pyrrolidine-2,5-dione.
Chemical Property Profile of 3-((6-HO-2-Mercapto-4-pyrimidinyl)amino)-1-(4-methoxyphenyl)2,5-pyrrolidinedione
Property Insights of 3-((6-HO-2-Mercapto-4-pyrimidinyl)amino)-1-(4-methoxyphenyl)2,5-pyrrolidinedione
The XLogP value of 1.18509 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((6-HO-2-Mercapto-4-pyrimidinyl)amino)-1-(4-methoxyphenyl)2,5-pyrrolidinedione. The TPSA of 107.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((6-HO-2-Mercapto-4-pyrimidinyl)amino)-1-(4-methoxyphenyl)2,5-pyrrolidinedione. Following Lipinski's Rule of Five, 3-((6-HO-2-Mercapto-4-pyrimidinyl)amino)-1-(4-methoxyphenyl)2,5-pyrrolidinedione has 3 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-((6-HO-2-Mercapto-4-pyrimidinyl)amino)-1-(4-methoxyphenyl)2,5-pyrrolidinedione?
The CAS number of 3-((6-HO-2-Mercapto-4-pyrimidinyl)amino)-1-(4-methoxyphenyl)2,5-pyrrolidinedione is 307941-62-4.
What is the molecular formula of 3-((6-HO-2-Mercapto-4-pyrimidinyl)amino)-1-(4-methoxyphenyl)2,5-pyrrolidinedione?
The molecular formula of 3-((6-HO-2-Mercapto-4-pyrimidinyl)amino)-1-(4-methoxyphenyl)2,5-pyrrolidinedione is C15H14N4O4S.
What is the molecular weight of 3-((6-HO-2-Mercapto-4-pyrimidinyl)amino)-1-(4-methoxyphenyl)2,5-pyrrolidinedione?
The molecular weight of 3-((6-HO-2-Mercapto-4-pyrimidinyl)amino)-1-(4-methoxyphenyl)2,5-pyrrolidinedione is 346.07 g/mol.
Where can I buy 3-((6-HO-2-Mercapto-4-pyrimidinyl)amino)-1-(4-methoxyphenyl)2,5-pyrrolidinedione?
You can request a quote for 3-((6-HO-2-Mercapto-4-pyrimidinyl)amino)-1-(4-methoxyphenyl)2,5-pyrrolidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((6-HO-2-Mercapto-4-pyrimidinyl)amino)-1-(4-methoxyphenyl)2,5-pyrrolidinedione?
Yes, KEHONG BIO provides custom synthesis services for 3-((6-HO-2-Mercapto-4-pyrimidinyl)amino)-1-(4-methoxyphenyl)2,5-pyrrolidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.