4-Ethoxy-3-(3-pyridin-3-yl-ureido)benzenesulfonylchloride hydrogen sulfate
TL;DR: 4-Ethoxy-3-(3-pyridin-3-yl-ureido)benzenesulfonylchloride hydrogen sulfate (CAS 820245-43-0) is a chemical compound with molecular formula C14H16ClN3O8S2 and molecular weight 453.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethoxy-3-(pyridin-1-ium-3-ylcarbamoylamino)benzenesulfonyl chloride;hydrogen sulfate
Also Known As: 4-ethoxy-3-(3-pyridin-3-yl-ureido)benzenesulfonylchloride hydrogen sulfate, 4-ethoxy-3-(pyridin-1-ium-3-ylcarbamoylamino)benzenesulfonyl chloride;hydrogen sulfate, 4-Ethoxy-3-(3-pyridin-3-yl-ureido)-benzenesulfonyl chloride hydrogen sulfate, 4-ethoxy-3-(3-pyridin-3-yl-ureido)-benzenesulfonylchloride hydrogen sulfate, 4-ethoxy-3-(3-pyridin-3-yl-ureido)-benzenesulfonyl chloride, sulfuric acid salt
| Molecular Formula | C14H16ClN3O8S2 |
|---|---|
| Molecular Weight | 453.01 g/mol |
| LogP | 1.4755 |
| Topological Polar Surface Area | 176.07 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.00674 |
| Heavy Atoms | 28 |
| Complexity | 1006.13684 |
Chemical Identifiers
| CAS Number | 820245-43-0 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)S(=O)(=O)Cl)NC(=O)NC2=C[NH+]=CC=C2.OS(=O)(=O)[O-] |
Product Overview
4-Ethoxy-3-(3-pyridin-3-yl-ureido)benzenesulfonylchloride hydrogen sulfate (CAS 820245-43-0), with molecular formula C14H16ClN3O8S2 and molecular weight 453.01 g/mol. IUPAC: 4-ethoxy-3-(pyridin-1-ium-3-ylcarbamoylamino)benzenesulfonyl chloride;hydrogen sulfate.
Chemical Property Profile of 4-Ethoxy-3-(3-pyridin-3-yl-ureido)benzenesulfonylchloride hydrogen sulfate
Property Insights of 4-Ethoxy-3-(3-pyridin-3-yl-ureido)benzenesulfonylchloride hydrogen sulfate
The XLogP value of 1.4755 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethoxy-3-(3-pyridin-3-yl-ureido)benzenesulfonylchloride hydrogen sulfate. The TPSA of 176.07 Ų indicates high polarity, suggesting 4-Ethoxy-3-(3-pyridin-3-yl-ureido)benzenesulfonylchloride hydrogen sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Ethoxy-3-(3-pyridin-3-yl-ureido)benzenesulfonylchloride hydrogen sulfate 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 4-Ethoxy-3-(3-pyridin-3-yl-ureido)benzenesulfonylchloride hydrogen sulfate?
The CAS number of 4-Ethoxy-3-(3-pyridin-3-yl-ureido)benzenesulfonylchloride hydrogen sulfate is 820245-43-0.
What is the molecular formula of 4-Ethoxy-3-(3-pyridin-3-yl-ureido)benzenesulfonylchloride hydrogen sulfate?
The molecular formula of 4-Ethoxy-3-(3-pyridin-3-yl-ureido)benzenesulfonylchloride hydrogen sulfate is C14H16ClN3O8S2.
What is the molecular weight of 4-Ethoxy-3-(3-pyridin-3-yl-ureido)benzenesulfonylchloride hydrogen sulfate?
The molecular weight of 4-Ethoxy-3-(3-pyridin-3-yl-ureido)benzenesulfonylchloride hydrogen sulfate is 453.01 g/mol.
Where can I buy 4-Ethoxy-3-(3-pyridin-3-yl-ureido)benzenesulfonylchloride hydrogen sulfate?
You can request a quote for 4-Ethoxy-3-(3-pyridin-3-yl-ureido)benzenesulfonylchloride hydrogen sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethoxy-3-(3-pyridin-3-yl-ureido)benzenesulfonylchloride hydrogen sulfate?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethoxy-3-(3-pyridin-3-yl-ureido)benzenesulfonylchloride hydrogen sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.