3-((4-(4-(2,4-Diaminopyrimidin-5-yl)butyl)phenyl)carbamoyl)benzene-1-sulfonyl fluoride sulfate
TL;DR: 3-((4-(4-(2,4-Diaminopyrimidin-5-yl)butyl)phenyl)carbamoyl)benzene-1-sulfonyl fluoride sulfate (CAS 21996-10-1) is a chemical compound with molecular formula C21H24FN5O7S2 and molecular weight 541.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-[4-(2,4-diaminopyrimidin-5-yl)butyl]phenyl]carbamoyl]benzenesulfonyl fluoride;sulfuric acid
Also Known As: 3-((4-(4-(2,4-Diaminopyrimidin-5-yl)butyl)phenyl)carbamoyl)benzene-1-sulfonyl fluoride sulfate, 3-({4-[4-(2,4-diaminopyrimidin-5-yl)butyl]phenyl}carbamoyl)benzenesulfonyl fluoride sulfate(1:1), 2,4-Diacetamido-5-<4-(p-nitro-phenyl)-1,3-butadienyl>-pyrimidin, 3-[[4-[4-(2,4-diaminopyrimidin-5-yl)butyl]phenyl]carbamoyl]b, 3-[[4-[4-(2,4-diaminopyrimidin-5-yl)butyl]phenyl]carbamoyl]benzenesulfonyl fluoride,sulfuric acid
| Molecular Formula | C21H24FN5O7S2 |
|---|---|
| Molecular Weight | 541.11 g/mol |
| LogP | 2.4641 |
| Topological Polar Surface Area | 232.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 541.1101 |
| Heavy Atoms | 36 |
| Complexity | 762.0 |
Chemical Identifiers
| CAS Number | 21996-10-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)F)C(=O)NC2=CC=C(C=C2)CCCCC3=CN=C(N=C3N)N.OS(=O)(=O)O |
| InChIKey | YTODMRDUEFRSNO-UHFFFAOYSA-N |
Product Overview
3-((4-(4-(2,4-Diaminopyrimidin-5-yl)butyl)phenyl)carbamoyl)benzene-1-sulfonyl fluoride sulfate (CAS 21996-10-1), with molecular formula C21H24FN5O7S2 and molecular weight 541.11 g/mol. IUPAC: 3-[[4-[4-(2,4-diaminopyrimidin-5-yl)butyl]phenyl]carbamoyl]benzenesulfonyl fluoride;sulfuric acid.
Chemical Property Profile of 3-((4-(4-(2,4-Diaminopyrimidin-5-yl)butyl)phenyl)carbamoyl)benzene-1-sulfonyl fluoride sulfate
Property Insights of 3-((4-(4-(2,4-Diaminopyrimidin-5-yl)butyl)phenyl)carbamoyl)benzene-1-sulfonyl fluoride sulfate
The XLogP value of 2.4641 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((4-(4-(2,4-Diaminopyrimidin-5-yl)butyl)phenyl)carbamoyl)benzene-1-sulfonyl fluoride sulfate. The TPSA of 232.0 Ų indicates high polarity, suggesting 3-((4-(4-(2,4-Diaminopyrimidin-5-yl)butyl)phenyl)carbamoyl)benzene-1-sulfonyl fluoride sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-((4-(4-(2,4-Diaminopyrimidin-5-yl)butyl)phenyl)carbamoyl)benzene-1-sulfonyl fluoride sulfate 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 3-((4-(4-(2,4-Diaminopyrimidin-5-yl)butyl)phenyl)carbamoyl)benzene-1-sulfonyl fluoride sulfate?
The CAS number of 3-((4-(4-(2,4-Diaminopyrimidin-5-yl)butyl)phenyl)carbamoyl)benzene-1-sulfonyl fluoride sulfate is 21996-10-1.
What is the molecular formula of 3-((4-(4-(2,4-Diaminopyrimidin-5-yl)butyl)phenyl)carbamoyl)benzene-1-sulfonyl fluoride sulfate?
The molecular formula of 3-((4-(4-(2,4-Diaminopyrimidin-5-yl)butyl)phenyl)carbamoyl)benzene-1-sulfonyl fluoride sulfate is C21H24FN5O7S2.
What is the molecular weight of 3-((4-(4-(2,4-Diaminopyrimidin-5-yl)butyl)phenyl)carbamoyl)benzene-1-sulfonyl fluoride sulfate?
The molecular weight of 3-((4-(4-(2,4-Diaminopyrimidin-5-yl)butyl)phenyl)carbamoyl)benzene-1-sulfonyl fluoride sulfate is 541.11 g/mol.
Where can I buy 3-((4-(4-(2,4-Diaminopyrimidin-5-yl)butyl)phenyl)carbamoyl)benzene-1-sulfonyl fluoride sulfate?
You can request a quote for 3-((4-(4-(2,4-Diaminopyrimidin-5-yl)butyl)phenyl)carbamoyl)benzene-1-sulfonyl fluoride sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((4-(4-(2,4-Diaminopyrimidin-5-yl)butyl)phenyl)carbamoyl)benzene-1-sulfonyl fluoride sulfate?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-(4-(2,4-Diaminopyrimidin-5-yl)butyl)phenyl)carbamoyl)benzene-1-sulfonyl fluoride sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.