![4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]carbamoylamino]-2-methylbenzenesulfonyl fluoride structure](/static/products/2207/22074-74-4.webp)
4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]carbamoylamino]-2-methylbenzenesulfonyl fluoride
TL;DR: 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]carbamoylamino]-2-methylbenzenesulfonyl fluoride (CAS 22074-74-4) is a chemical compound with molecular formula C25H21Cl2FN6O4S and molecular weight 590.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]carbamoylamino]-2-methylbenzenesulfonyl fluoride
Also Known As: 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]carbamoylamino]-2-methylbenzenesulfonyl fluoride, 4-{[(4-{[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}phenyl)carbamoyl]amino}-2-methylbenzene-1-sulfonyl fluoride
| Molecular Formula | C25H21Cl2FN6O4S |
|---|---|
| Molecular Weight | 590.07 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 590.0706 |
| Heavy Atoms | 39 |
| Complexity | 925.0 |
Chemical Identifiers
| CAS Number | 22074-74-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC(=O)NC2=CC=C(C=C2)OCC3=C(C(=NC(=N3)N)N)C4=CC(=C(C=C4)Cl)Cl)S(=O)(=O)F |
| InChIKey | ILTFAQIZBHSCMU-UHFFFAOYSA-N |
Product Overview
4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]carbamoylamino]-2-methylbenzenesulfonyl fluoride (CAS 22074-74-4), with molecular formula C25H21Cl2FN6O4S and molecular weight 590.07 g/mol. IUPAC: 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]carbamoylamino]-2-methylbenzenesulfonyl fluoride.
Chemical Property Profile of 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]carbamoylamino]-2-methylbenzenesulfonyl fluoride
Property Insights of 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]carbamoylamino]-2-methylbenzenesulfonyl fluoride
The XLogP value of 4.6 indicates that 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]carbamoylamino]-2-methylbenzenesulfonyl fluoride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 171.0 Ų indicates high polarity, suggesting 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]carbamoylamino]-2-methylbenzenesulfonyl fluoride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]carbamoylamino]-2-methylbenzenesulfonyl fluoride has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]carbamoylamino]-2-methylbenzenesulfonyl fluoride?
The CAS number of 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]carbamoylamino]-2-methylbenzenesulfonyl fluoride is 22074-74-4.
What is the molecular formula of 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]carbamoylamino]-2-methylbenzenesulfonyl fluoride?
The molecular formula of 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]carbamoylamino]-2-methylbenzenesulfonyl fluoride is C25H21Cl2FN6O4S.
What is the molecular weight of 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]carbamoylamino]-2-methylbenzenesulfonyl fluoride?
The molecular weight of 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]carbamoylamino]-2-methylbenzenesulfonyl fluoride is 590.07 g/mol.
Where can I buy 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]carbamoylamino]-2-methylbenzenesulfonyl fluoride?
You can request a quote for 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]carbamoylamino]-2-methylbenzenesulfonyl fluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]carbamoylamino]-2-methylbenzenesulfonyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]carbamoylamino]-2-methylbenzenesulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.