3-Chloro-4-(3-pyridin-2-yl-ureido)-benzenesulfonyl chloride hydrogen sulfate
TL;DR: 3-Chloro-4-(3-pyridin-2-yl-ureido)-benzenesulfonyl chloride hydrogen sulfate (CAS 820245-41-8) is a chemical compound with molecular formula C12H11Cl2N3O7S2 and molecular weight 442.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-(pyridin-1-ium-2-ylcarbamoylamino)benzenesulfonyl chloride;hydrogen sulfate
Also Known As: 3-Chloro-4-(3-pyridin-2-yl-ureido)-benzenesulfonyl chloride hydrogen sulfate, 3-Chloro-4-(3-(pyridin-2-yl)ureido)benzene-1-sulfonyl chloride sulfate, 3-chloro-4-(pyridin-1-ium-2-ylcarbamoylamino)benzenesulfonyl chloride;hydrogen sulfate, 3-chloro-4-(pyridin-1-ium-2-ylcarbamoylamino)benzenesulfonyl chloride; hydrogen sulfate
| Molecular Formula | C12H11Cl2N3O7S2 |
|---|---|
| Molecular Weight | 442.94 g/mol |
| LogP | 1.7302 |
| Topological Polar Surface Area | 166.84 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 442.94156 |
| Heavy Atoms | 26 |
| Complexity | 975.13837 |
Chemical Identifiers
| CAS Number | 820245-41-8 |
|---|---|
| SMILES | C1=CC=[NH+]C(=C1)NC(=O)NC2=C(C=C(C=C2)S(=O)(=O)Cl)Cl.OS(=O)(=O)[O-] |
Product Overview
3-Chloro-4-(3-pyridin-2-yl-ureido)-benzenesulfonyl chloride hydrogen sulfate (CAS 820245-41-8), with molecular formula C12H11Cl2N3O7S2 and molecular weight 442.94 g/mol. IUPAC: 3-chloro-4-(pyridin-1-ium-2-ylcarbamoylamino)benzenesulfonyl chloride;hydrogen sulfate.
Chemical Property Profile of 3-Chloro-4-(3-pyridin-2-yl-ureido)-benzenesulfonyl chloride hydrogen sulfate
Property Insights of 3-Chloro-4-(3-pyridin-2-yl-ureido)-benzenesulfonyl chloride hydrogen sulfate
The XLogP value of 1.7302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-(3-pyridin-2-yl-ureido)-benzenesulfonyl chloride hydrogen sulfate. The TPSA of 166.84 Ų indicates high polarity, suggesting 3-Chloro-4-(3-pyridin-2-yl-ureido)-benzenesulfonyl chloride hydrogen sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Chloro-4-(3-pyridin-2-yl-ureido)-benzenesulfonyl chloride hydrogen sulfate 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 3-Chloro-4-(3-pyridin-2-yl-ureido)-benzenesulfonyl chloride hydrogen sulfate?
The CAS number of 3-Chloro-4-(3-pyridin-2-yl-ureido)-benzenesulfonyl chloride hydrogen sulfate is 820245-41-8.
What is the molecular formula of 3-Chloro-4-(3-pyridin-2-yl-ureido)-benzenesulfonyl chloride hydrogen sulfate?
The molecular formula of 3-Chloro-4-(3-pyridin-2-yl-ureido)-benzenesulfonyl chloride hydrogen sulfate is C12H11Cl2N3O7S2.
What is the molecular weight of 3-Chloro-4-(3-pyridin-2-yl-ureido)-benzenesulfonyl chloride hydrogen sulfate?
The molecular weight of 3-Chloro-4-(3-pyridin-2-yl-ureido)-benzenesulfonyl chloride hydrogen sulfate is 442.94 g/mol.
Where can I buy 3-Chloro-4-(3-pyridin-2-yl-ureido)-benzenesulfonyl chloride hydrogen sulfate?
You can request a quote for 3-Chloro-4-(3-pyridin-2-yl-ureido)-benzenesulfonyl chloride hydrogen sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-(3-pyridin-2-yl-ureido)-benzenesulfonyl chloride hydrogen sulfate?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-(3-pyridin-2-yl-ureido)-benzenesulfonyl chloride hydrogen sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.