3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzenesulfonyl fluoride; ethanesulfonic acid
TL;DR: 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzenesulfonyl fluoride; ethanesulfonic acid (CAS 19159-36-5) is a chemical compound with molecular formula C13H20FN5O5S2 and molecular weight 409.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzenesulfonyl fluoride;ethanesulfonic acid
Also Known As: 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzenesulfonyl fluoride; ethanesulfonic acid, ethanesulfonic acid- 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)benzenesulfonyl fluoride(1:1), 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzenesulfonyl Fluoride, Ethanesulfonic acid - 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)benzenesulfonyl fluoride (1:1), Ethanesulfonic acid--3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)benzene-1-sulfonyl fluoride (1/1)
| Molecular Formula | C13H20FN5O5S2 |
|---|---|
| Molecular Weight | 409.09 g/mol |
| LogP | 0.4244 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.089 |
| Heavy Atoms | 26 |
| Complexity | 657.0 |
Chemical Identifiers
| CAS Number | 19159-36-5 |
|---|---|
| SMILES | CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=CC=C2)S(=O)(=O)F)N)N)C |
| InChIKey | WLPLQGLNXMZKNN-UHFFFAOYSA-N |
Product Overview
3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzenesulfonyl fluoride; ethanesulfonic acid (CAS 19159-36-5), with molecular formula C13H20FN5O5S2 and molecular weight 409.09 g/mol. IUPAC: 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzenesulfonyl fluoride;ethanesulfonic acid.
Chemical Property Profile of 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzenesulfonyl fluoride; ethanesulfonic acid
Property Insights of 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzenesulfonyl fluoride; ethanesulfonic acid
The XLogP value of 0.4244 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzenesulfonyl fluoride; ethanesulfonic acid. The TPSA of 185.0 Ų indicates high polarity, suggesting 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzenesulfonyl fluoride; ethanesulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzenesulfonyl fluoride; ethanesulfonic acid has 3 hydrogen bond donor(s) and 7 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 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzenesulfonyl fluoride; ethanesulfonic acid?
The CAS number of 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzenesulfonyl fluoride; ethanesulfonic acid is 19159-36-5.
What is the molecular formula of 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzenesulfonyl fluoride; ethanesulfonic acid?
The molecular formula of 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzenesulfonyl fluoride; ethanesulfonic acid is C13H20FN5O5S2.
What is the molecular weight of 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzenesulfonyl fluoride; ethanesulfonic acid?
The molecular weight of 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzenesulfonyl fluoride; ethanesulfonic acid is 409.09 g/mol.
Where can I buy 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzenesulfonyl fluoride; ethanesulfonic acid?
You can request a quote for 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzenesulfonyl fluoride; ethanesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzenesulfonyl fluoride; ethanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzenesulfonyl fluoride; ethanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.