![3-{[(4-{[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}phenyl)carbamoyl]amino}benzene-1-sulfonyl fluoride structure](/static/products/2011/20110-78-5.webp)
3-{[(4-{[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}phenyl)carbamoyl]amino}benzene-1-sulfonyl fluoride
TL;DR: 3-{[(4-{[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}phenyl)carbamoyl]amino}benzene-1-sulfonyl fluoride (CAS 20110-78-5) is a chemical compound with molecular formula C24H19Cl2FN6O4S and molecular weight 576.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]carbamoylamino]benzenesulfonyl fluoride
Also Known As: 3-{[(4-{[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}phenyl)carbamoyl]amino}benzene-1-sulfonyl fluoride, 3-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]carbamoylamino]benzenesulfonyl fluoride
| Molecular Formula | C24H19Cl2FN6O4S |
|---|---|
| Molecular Weight | 576.05 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 576.05493 |
| Heavy Atoms | 38 |
| Complexity | 894.0 |
Chemical Identifiers
| CAS Number | 20110-78-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)F)NC(=O)NC2=CC=C(C=C2)OCC3=C(C(=NC(=N3)N)N)C4=CC(=C(C=C4)Cl)Cl |
| InChIKey | HBMYJCCVTWTLKX-UHFFFAOYSA-N |
Product Overview
3-{[(4-{[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}phenyl)carbamoyl]amino}benzene-1-sulfonyl fluoride (CAS 20110-78-5), with molecular formula C24H19Cl2FN6O4S and molecular weight 576.05 g/mol. IUPAC: 3-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]carbamoylamino]benzenesulfonyl fluoride.
Chemical Property Profile of 3-{[(4-{[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}phenyl)carbamoyl]amino}benzene-1-sulfonyl fluoride
Property Insights of 3-{[(4-{[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}phenyl)carbamoyl]amino}benzene-1-sulfonyl fluoride
The XLogP value of 4.3 indicates that 3-{[(4-{[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}phenyl)carbamoyl]amino}benzene-1-sulfonyl fluoride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 171.0 Ų indicates high polarity, suggesting 3-{[(4-{[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}phenyl)carbamoyl]amino}benzene-1-sulfonyl fluoride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-{[(4-{[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}phenyl)carbamoyl]amino}benzene-1-sulfonyl 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 3-{[(4-{[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}phenyl)carbamoyl]amino}benzene-1-sulfonyl fluoride?
The CAS number of 3-{[(4-{[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}phenyl)carbamoyl]amino}benzene-1-sulfonyl fluoride is 20110-78-5.
What is the molecular formula of 3-{[(4-{[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}phenyl)carbamoyl]amino}benzene-1-sulfonyl fluoride?
The molecular formula of 3-{[(4-{[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}phenyl)carbamoyl]amino}benzene-1-sulfonyl fluoride is C24H19Cl2FN6O4S.
What is the molecular weight of 3-{[(4-{[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}phenyl)carbamoyl]amino}benzene-1-sulfonyl fluoride?
The molecular weight of 3-{[(4-{[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}phenyl)carbamoyl]amino}benzene-1-sulfonyl fluoride is 576.05 g/mol.
Where can I buy 3-{[(4-{[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}phenyl)carbamoyl]amino}benzene-1-sulfonyl fluoride?
You can request a quote for 3-{[(4-{[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}phenyl)carbamoyl]amino}benzene-1-sulfonyl fluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[(4-{[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}phenyl)carbamoyl]amino}benzene-1-sulfonyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(4-{[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}phenyl)carbamoyl]amino}benzene-1-sulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.