![4-[[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-1-oxopropyl]amino]benzenesulfonyl fluoride structure](/static/products/3106/31066-08-7.webp)
4-[[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-1-oxopropyl]amino]benzenesulfonyl fluoride
TL;DR: 4-[[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-1-oxopropyl]amino]benzenesulfonyl fluoride (CAS 31066-08-7) is a chemical compound with molecular formula C20H22ClFN6O3S and molecular weight 480.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]benzenesulfonyl fluoride
Also Known As: 4-[[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-1-oxopropyl]amino]benzenesulfonyl fluoride, 4-({3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]propanoyl}amino)benzenesulfonyl fluoride, 4-(3-(2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl)propanamido)benzenesulfonyl fluoride, 4-[3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]benzenesulfonyl fluoride
| Molecular Formula | C20H22ClFN6O3S |
|---|---|
| Molecular Weight | 480.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 480.11465 |
| Heavy Atoms | 32 |
| Complexity | 867.0 |
Chemical Identifiers
| CAS Number | 31066-08-7 |
|---|---|
| SMILES | CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)F)Cl)N)N)C |
| InChIKey | NKCFSRHDUPWUSZ-UHFFFAOYSA-N |
Product Overview
4-[[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-1-oxopropyl]amino]benzenesulfonyl fluoride (CAS 31066-08-7), with molecular formula C20H22ClFN6O3S and molecular weight 480.11 g/mol. IUPAC: 4-[3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]benzenesulfonyl fluoride.
Chemical Property Profile of 4-[[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-1-oxopropyl]amino]benzenesulfonyl fluoride
Property Insights of 4-[[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-1-oxopropyl]amino]benzenesulfonyl fluoride
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-1-oxopropyl]amino]benzenesulfonyl fluoride. The TPSA of 152.0 Ų indicates high polarity, suggesting 4-[[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-1-oxopropyl]amino]benzenesulfonyl fluoride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-[[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-1-oxopropyl]amino]benzenesulfonyl fluoride has 3 hydrogen bond donor(s) and 5 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-[[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-1-oxopropyl]amino]benzenesulfonyl fluoride?
The CAS number of 4-[[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-1-oxopropyl]amino]benzenesulfonyl fluoride is 31066-08-7.
What is the molecular formula of 4-[[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-1-oxopropyl]amino]benzenesulfonyl fluoride?
The molecular formula of 4-[[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-1-oxopropyl]amino]benzenesulfonyl fluoride is C20H22ClFN6O3S.
What is the molecular weight of 4-[[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-1-oxopropyl]amino]benzenesulfonyl fluoride?
The molecular weight of 4-[[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-1-oxopropyl]amino]benzenesulfonyl fluoride is 480.11 g/mol.
Where can I buy 4-[[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-1-oxopropyl]amino]benzenesulfonyl fluoride?
You can request a quote for 4-[[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-1-oxopropyl]amino]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-[[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-1-oxopropyl]amino]benzenesulfonyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 4-[[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-1-oxopropyl]amino]benzenesulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.