2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide
TL;DR: 2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide (CAS 512807-78-2) is a chemical compound with molecular formula C17H21N5O4S2 and molecular weight 423.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide
Also Known As: 2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide, 2-(6-amino-4-oxo-1-prop-2-enyl-pyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide, 2-[(1-allyl-6-amino-4-oxo-1,4-dihydro-2-pyrimidinyl)sulfanyl]-N-[4-(aminosulfonyl)phenyl]butanamide, 2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)butanamide
| Molecular Formula | C17H21N5O4S2 |
|---|---|
| Molecular Weight | 423.10 g/mol |
| LogP | 1.1683 |
| Topological Polar Surface Area | 150.17 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 423.1035 |
| Heavy Atoms | 28 |
| Complexity | 1032.5035 |
Chemical Identifiers
| CAS Number | 512807-78-2 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NC(=O)C=C(N2CC=C)N |
Product Overview
2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide (CAS 512807-78-2), with molecular formula C17H21N5O4S2 and molecular weight 423.10 g/mol. IUPAC: 2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide.
Chemical Property Profile of 2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide
Property Insights of 2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide
The XLogP value of 1.1683 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide. The TPSA of 150.17 Ų indicates high polarity, suggesting 2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide 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-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide?
The CAS number of 2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide is 512807-78-2.
What is the molecular formula of 2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide?
The molecular formula of 2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide is C17H21N5O4S2.
What is the molecular weight of 2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide?
The molecular weight of 2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide is 423.10 g/mol.
Where can I buy 2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide?
You can request a quote for 2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide 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-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.