![5-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]-2-methylbenzenesulfonyl fluoride; sulfuric acid structure](/static/products/2009/20096-76-8.webp)
5-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]-2-methylbenzenesulfonyl fluoride; sulfuric acid
TL;DR: 5-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]-2-methylbenzenesulfonyl fluoride; sulfuric acid (CAS 20096-76-8) is a chemical compound with molecular formula C27H26Cl2FN5O7S2 and molecular weight 685.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]-2-methylbenzenesulfonyl fluoride;sulfuric acid
Also Known As: 5-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]-2-methylbenzenesulfonyl fluoride; sulfuric acid, 5-[[4-[2-[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]-2-methylbenzenesulfonyl fluoride;sulfuric acid, Sulfuric acid--5-{[(4-{2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl}phenyl)methyl]carbamoyl}-2-methylbenzene-1-sulfonyl fluoride (1/1)
| Molecular Formula | C27H26Cl2FN5O7S2 |
|---|---|
| Molecular Weight | 685.06 g/mol |
| LogP | 4.64382 |
| Topological Polar Surface Area | 232.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 685.0635 |
| Heavy Atoms | 44 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 20096-76-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)CCC3=C(C(=NC(=N3)N)N)C4=CC(=C(C=C4)Cl)Cl)S(=O)(=O)F.OS(=O)(=O)O |
| InChIKey | CRYYTGGYSQCTGB-UHFFFAOYSA-N |
Product Overview
5-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]-2-methylbenzenesulfonyl fluoride; sulfuric acid (CAS 20096-76-8), with molecular formula C27H26Cl2FN5O7S2 and molecular weight 685.06 g/mol. IUPAC: 5-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]-2-methylbenzenesulfonyl fluoride;sulfuric acid.
Chemical Property Profile of 5-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]-2-methylbenzenesulfonyl fluoride; sulfuric acid
Property Insights of 5-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]-2-methylbenzenesulfonyl fluoride; sulfuric acid
The XLogP value of 4.64382 indicates that 5-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]-2-methylbenzenesulfonyl fluoride; sulfuric acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 232.0 Ų indicates high polarity, suggesting 5-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]-2-methylbenzenesulfonyl fluoride; sulfuric acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]-2-methylbenzenesulfonyl fluoride; sulfuric acid 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 5-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]-2-methylbenzenesulfonyl fluoride; sulfuric acid?
The CAS number of 5-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]-2-methylbenzenesulfonyl fluoride; sulfuric acid is 20096-76-8.
What is the molecular formula of 5-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]-2-methylbenzenesulfonyl fluoride; sulfuric acid?
The molecular formula of 5-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]-2-methylbenzenesulfonyl fluoride; sulfuric acid is C27H26Cl2FN5O7S2.
What is the molecular weight of 5-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]-2-methylbenzenesulfonyl fluoride; sulfuric acid?
The molecular weight of 5-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]-2-methylbenzenesulfonyl fluoride; sulfuric acid is 685.06 g/mol.
Where can I buy 5-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]-2-methylbenzenesulfonyl fluoride; sulfuric acid?
You can request a quote for 5-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]-2-methylbenzenesulfonyl fluoride; sulfuric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]-2-methylbenzenesulfonyl fluoride; sulfuric acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]-2-methylbenzenesulfonyl fluoride; sulfuric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.