N-(4-(((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide
TL;DR: N-(4-(((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide (CAS 349486-63-1) is a chemical compound with molecular formula C13H12N4O3S and molecular weight 304.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]phenyl]acetamide
Also Known As: N-(4-(((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide, N-(4-{[(4,6-DIOXO-2-SULFANYLIDENE-1,3-DIAZINAN-5-YLIDENE)METHYL]AMINO}PHENYL)ACETAMIDE, F3220-0520, N-(4-{[(4,6-dioxo-2-thioxo-1,3-dihydropyrimidin-5-ylidene)methyl]amino}phenyl) acetamide, N-(4-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}phenyl)acetamide
| Molecular Formula | C13H12N4O3S |
|---|---|
| Molecular Weight | 304.06 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.06302 |
| Heavy Atoms | 21 |
| Complexity | 522.0 |
Chemical Identifiers
| CAS Number | 349486-63-1 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)N=CC2=C(NC(=S)NC2=O)O |
| InChIKey | OGTVYUXHKSAPOD-UHFFFAOYSA-N |
Product Overview
N-(4-(((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide (CAS 349486-63-1), with molecular formula C13H12N4O3S and molecular weight 304.06 g/mol. IUPAC: N-[4-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]phenyl]acetamide.
Chemical Property Profile of N-(4-(((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide
Property Insights of N-(4-(((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-(((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-(((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide. Following Lipinski's Rule of Five, N-(4-(((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide has 4 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 N-(4-(((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide?
The CAS number of N-(4-(((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide is 349486-63-1.
What is the molecular formula of N-(4-(((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide?
The molecular formula of N-(4-(((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide is C13H12N4O3S.
What is the molecular weight of N-(4-(((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide?
The molecular weight of N-(4-(((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide is 304.06 g/mol.
Where can I buy N-(4-(((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide?
You can request a quote for N-(4-(((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-(((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-(((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.