![4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoylamino]benzenesulfonyl fluoride structure](/static/products/2197/21975-98-4.webp)
4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoylamino]benzenesulfonyl fluoride
TL;DR: 4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoylamino]benzenesulfonyl fluoride (CAS 21975-98-4) is a chemical compound with molecular formula C25H21Cl2FN6O3S and molecular weight 574.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoylamino]benzenesulfonyl fluoride
Also Known As: 4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoylamino]benzenesulfonyl fluoride, 4-{[(4-{2-[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl}phenyl)carbamoyl]amino}benzene-1-sulfonyl fluoride
| Molecular Formula | C25H21Cl2FN6O3S |
|---|---|
| Molecular Weight | 574.08 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 574.0757 |
| Heavy Atoms | 38 |
| Complexity | 883.0 |
Chemical Identifiers
| CAS Number | 21975-98-4 |
|---|---|
| SMILES | C1=CC(=CC=C1CCC2=C(C(=NC(=N2)N)N)C3=CC(=C(C=C3)Cl)Cl)NC(=O)NC4=CC=C(C=C4)S(=O)(=O)F |
| InChIKey | CSSFTYITCIPUFQ-UHFFFAOYSA-N |
Product Overview
4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoylamino]benzenesulfonyl fluoride (CAS 21975-98-4), with molecular formula C25H21Cl2FN6O3S and molecular weight 574.08 g/mol. IUPAC: 4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoylamino]benzenesulfonyl fluoride.
Chemical Property Profile of 4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoylamino]benzenesulfonyl fluoride
Property Insights of 4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoylamino]benzenesulfonyl fluoride
The XLogP value of 4.8 indicates that 4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoylamino]benzenesulfonyl fluoride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.0 Ų indicates high polarity, suggesting 4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoylamino]benzenesulfonyl fluoride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoylamino]benzenesulfonyl fluoride has 4 hydrogen bond donor(s) and 8 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-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoylamino]benzenesulfonyl fluoride?
The CAS number of 4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoylamino]benzenesulfonyl fluoride is 21975-98-4.
What is the molecular formula of 4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoylamino]benzenesulfonyl fluoride?
The molecular formula of 4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoylamino]benzenesulfonyl fluoride is C25H21Cl2FN6O3S.
What is the molecular weight of 4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoylamino]benzenesulfonyl fluoride?
The molecular weight of 4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoylamino]benzenesulfonyl fluoride is 574.08 g/mol.
Where can I buy 4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoylamino]benzenesulfonyl fluoride?
You can request a quote for 4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoylamino]benzenesulfonyl 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-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoylamino]benzenesulfonyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoylamino]benzenesulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.