![4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]benzenesulfonyl fluoride structure](/static/products/2011/20111-25-5.webp)
4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]benzenesulfonyl fluoride
TL;DR: 4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]benzenesulfonyl fluoride (CAS 20111-25-5) is a chemical compound with molecular formula C26H24Cl2FN5O7S2 and molecular weight 671.05 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]methylcarbamoyl]benzenesulfonyl fluoride;sulfuric acid
Also Known As: 4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]benzenesulfonyl fluoride, 4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]benzenesulfonyl fluoride; sulfuric acid, 4-[[4-[2-[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]benzenesulfonyl fluoride;sulfuric acid, Sulfuric acid--4-{[(4-{2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl}phenyl)methyl]carbamoyl}benzene-1-sulfonyl fluoride (1/1)
| Molecular Formula | C26H24Cl2FN5O7S2 |
|---|---|
| Molecular Weight | 671.05 g/mol |
| LogP | 4.3354 |
| Topological Polar Surface Area | 232.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 671.04785 |
| Heavy Atoms | 43 |
| Complexity | 962.0 |
Chemical Identifiers
| CAS Number | 20111-25-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CCC2=C(C(=NC(=N2)N)N)C3=CC(=C(C=C3)Cl)Cl)CNC(=O)C4=CC=C(C=C4)S(=O)(=O)F.OS(=O)(=O)O |
| InChIKey | UCPYPHLHUQXJKJ-UHFFFAOYSA-N |
Product Overview
4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]benzenesulfonyl fluoride (CAS 20111-25-5), with molecular formula C26H24Cl2FN5O7S2 and molecular weight 671.05 g/mol. IUPAC: 4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]benzenesulfonyl fluoride;sulfuric acid.
Chemical Property Profile of 4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]benzenesulfonyl fluoride
Property Insights of 4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]benzenesulfonyl fluoride
The XLogP value of 4.3354 indicates that 4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]benzenesulfonyl fluoride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 232.0 Ų indicates high polarity, suggesting 4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]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]methylcarbamoyl]benzenesulfonyl fluoride has 5 hydrogen bond donor(s) and 12 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]methylcarbamoyl]benzenesulfonyl fluoride?
The CAS number of 4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]benzenesulfonyl fluoride is 20111-25-5.
What is the molecular formula of 4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]benzenesulfonyl fluoride?
The molecular formula of 4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]benzenesulfonyl fluoride is C26H24Cl2FN5O7S2.
What is the molecular weight of 4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]benzenesulfonyl fluoride?
The molecular weight of 4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]benzenesulfonyl fluoride is 671.05 g/mol.
Where can I buy 4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]benzenesulfonyl fluoride?
You can request a quote for 4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]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]methylcarbamoyl]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]methylcarbamoyl]benzenesulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.