![2-chloro-4-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride; ethanesulfonic acid structure](/static/products/3180/31806-95-8.webp)
2-chloro-4-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride; ethanesulfonic acid
TL;DR: 2-chloro-4-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride; ethanesulfonic acid (CAS 31806-95-8) is a chemical compound with molecular formula C23H31ClFN5O5S2 and molecular weight 575.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid
Also Known As: 2-chloro-4-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride; ethanesulfonic acid, ethanesulfonic acid- 2-chloro-4-{4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]butyl}benzenesulfonyl fluoride(1:1), 1-[((3-Chloro-4-fluorosulfonyl)-1,4-butanediyl)-phen-3-yl]-4,6-, 2-chloro-4-(4-(3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl)butyl)benzenesulfonyl fluoride ethanesulfonate, 2-chloro-4-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride
| Molecular Formula | C23H31ClFN5O5S2 |
|---|---|
| Molecular Weight | 575.14 g/mol |
| LogP | 3.6432 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 575.1439 |
| Heavy Atoms | 37 |
| Complexity | 903.0 |
Chemical Identifiers
| CAS Number | 31806-95-8 |
|---|---|
| SMILES | CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=CC(=C2)CCCCC3=CC(=C(C=C3)S(=O)(=O)F)Cl)N)N)C |
| InChIKey | IVBOMPQMPPJNBJ-UHFFFAOYSA-N |
Product Overview
2-chloro-4-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride; ethanesulfonic acid (CAS 31806-95-8), with molecular formula C23H31ClFN5O5S2 and molecular weight 575.14 g/mol. IUPAC: 2-chloro-4-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid.
Chemical Property Profile of 2-chloro-4-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride; ethanesulfonic acid
Property Insights of 2-chloro-4-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride; ethanesulfonic acid
The XLogP value of 3.6432 indicates that 2-chloro-4-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride; ethanesulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 185.0 Ų indicates high polarity, suggesting 2-chloro-4-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride; ethanesulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-chloro-4-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride; ethanesulfonic acid has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-chloro-4-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride; ethanesulfonic acid?
The CAS number of 2-chloro-4-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride; ethanesulfonic acid is 31806-95-8.
What is the molecular formula of 2-chloro-4-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride; ethanesulfonic acid?
The molecular formula of 2-chloro-4-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride; ethanesulfonic acid is C23H31ClFN5O5S2.
What is the molecular weight of 2-chloro-4-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride; ethanesulfonic acid?
The molecular weight of 2-chloro-4-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride; ethanesulfonic acid is 575.14 g/mol.
Where can I buy 2-chloro-4-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride; ethanesulfonic acid?
You can request a quote for 2-chloro-4-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]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 2-chloro-4-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride; ethanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-4-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride; ethanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.