![4-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide structure](/static/products/1164/1164530-21-5.webp)
4-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
TL;DR: 4-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide (CAS 1164530-21-5) is a chemical compound with molecular formula C22H19N5O6S and molecular weight 481.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
Also Known As: 4-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide, 4-{[2-(1,3-benzoxazol-2-yl)-3-oxo-1-propen-1-yl]amino}-N-(2,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide, (Z)-4-((2-(Benzo[d]oxazol-2-yl)-3-oxoprop-1-en-1-yl)amino)-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide, 4-{[2-(1,3-benzoxazol-2-yl)-3-oxo-1-propenyl]amino}-N-(2,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide
| Molecular Formula | C22H19N5O6S |
|---|---|
| Molecular Weight | 481.11 g/mol |
| LogP | 3.0877 |
| Topological Polar Surface Area | 145.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 481.1056 |
| Heavy Atoms | 34 |
| Complexity | 1409.6841 |
Chemical Identifiers
| CAS Number | 1164530-21-5 |
|---|---|
| SMILES | COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N/C=C(\C=O)/C3=NC4=CC=CC=C4O3)OC |
Product Overview
4-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide (CAS 1164530-21-5), with molecular formula C22H19N5O6S and molecular weight 481.11 g/mol. IUPAC: 4-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide.
Chemical Property Profile of 4-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
Property Insights of 4-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
The XLogP value of 3.0877 indicates that 4-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.54 Ų indicates high polarity, suggesting 4-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide has 2 hydrogen bond donor(s) and 10 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 4-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide?
The CAS number of 4-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide is 1164530-21-5.
What is the molecular formula of 4-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide?
The molecular formula of 4-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide is C22H19N5O6S.
What is the molecular weight of 4-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide?
The molecular weight of 4-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide is 481.11 g/mol.
Where can I buy 4-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide?
You can request a quote for 4-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.