4-(2-(2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy)acetamido)benzene-1-sulfonyl fluoride
TL;DR: 4-(2-(2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy)acetamido)benzene-1-sulfonyl fluoride (CAS 20202-81-7) is a chemical compound with molecular formula C19H20ClFN6O4S and molecular weight 482.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]acetyl]amino]benzenesulfonyl fluoride
Also Known As: 4-(2-(2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy)acetamido)benzene-1-sulfonyl fluoride, 4-({[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]acetyl}amino)benzenesulfonyl fluoride, 4-[[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-, 4-(2-(2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy)acetamido)benzene-1-sulfonylfluoride, 4-[[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]acetyl]amino]benzenesulfonyl fluoride
| Molecular Formula | C19H20ClFN6O4S |
|---|---|
| Molecular Weight | 482.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 482.09393 |
| Heavy Atoms | 32 |
| Complexity | 870.0 |
Chemical Identifiers
| CAS Number | 20202-81-7 |
|---|---|
| SMILES | CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)F)Cl)N)N)C |
| InChIKey | QADXPABWHTZYHG-UHFFFAOYSA-N |
Product Overview
4-(2-(2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy)acetamido)benzene-1-sulfonyl fluoride (CAS 20202-81-7), with molecular formula C19H20ClFN6O4S and molecular weight 482.09 g/mol. IUPAC: 4-[[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]acetyl]amino]benzenesulfonyl fluoride.
Chemical Property Profile of 4-(2-(2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy)acetamido)benzene-1-sulfonyl fluoride
Property Insights of 4-(2-(2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy)acetamido)benzene-1-sulfonyl fluoride
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-(2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy)acetamido)benzene-1-sulfonyl fluoride. The TPSA of 161.0 Ų indicates high polarity, suggesting 4-(2-(2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy)acetamido)benzene-1-sulfonyl fluoride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(2-(2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy)acetamido)benzene-1-sulfonyl fluoride has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(2-(2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy)acetamido)benzene-1-sulfonyl fluoride?
The CAS number of 4-(2-(2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy)acetamido)benzene-1-sulfonyl fluoride is 20202-81-7.
What is the molecular formula of 4-(2-(2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy)acetamido)benzene-1-sulfonyl fluoride?
The molecular formula of 4-(2-(2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy)acetamido)benzene-1-sulfonyl fluoride is C19H20ClFN6O4S.
What is the molecular weight of 4-(2-(2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy)acetamido)benzene-1-sulfonyl fluoride?
The molecular weight of 4-(2-(2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy)acetamido)benzene-1-sulfonyl fluoride is 482.09 g/mol.
Where can I buy 4-(2-(2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy)acetamido)benzene-1-sulfonyl fluoride?
You can request a quote for 4-(2-(2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy)acetamido)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 4-(2-(2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy)acetamido)benzene-1-sulfonyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-(2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy)acetamido)benzene-1-sulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.