![2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide structure](/static/products/6851/685121-62-4.webp)
2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide
TL;DR: 2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide (CAS 685121-62-4) is a chemical compound with molecular formula C20H21N5O4S2 and molecular weight 459.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-sulfamoylphenyl)propanamide
Also Known As: 2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide, 2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-sulfamoylphenyl)propanamide, 2-[6-amino-1-(3-methylphenyl)-4-oxo-pyrimidin-2-yl]sulfanyl-N-(4-sulfamoylphenyl)propanamide, 2-{[6-AMINO-1-(3-METHYLPHENYL)-4-OXOPYRIMIDIN-2-YL]SULFANYL}-N-(4-SULFAMOYLPHENYL)PROPANAMIDE
| Molecular Formula | C20H21N5O4S2 |
|---|---|
| Molecular Weight | 459.10 g/mol |
| LogP | 1.88982 |
| Topological Polar Surface Area | 150.17 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.1035 |
| Heavy Atoms | 31 |
| Complexity | 1287.6675 |
Chemical Identifiers
| CAS Number | 685121-62-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=CC(=O)N=C2SC(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N)N |
Product Overview
2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide (CAS 685121-62-4), with molecular formula C20H21N5O4S2 and molecular weight 459.10 g/mol. IUPAC: 2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-sulfamoylphenyl)propanamide.
Chemical Property Profile of 2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide
Property Insights of 2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide
The XLogP value of 1.88982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide. The TPSA of 150.17 Ų indicates high polarity, suggesting 2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide has 3 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 2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide?
The CAS number of 2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide is 685121-62-4.
What is the molecular formula of 2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide?
The molecular formula of 2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide is C20H21N5O4S2.
What is the molecular weight of 2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide?
The molecular weight of 2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide is 459.10 g/mol.
Where can I buy 2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide?
You can request a quote for 2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.