RefChem:327823
TL;DR: RefChem:327823 (CAS 23563-78-2) is a chemical compound with molecular formula C14H22N2O5S2 and molecular weight 362.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethoxycarbonyl-4-[3-(2-sulfosulfanylethylamino)propylamino]benzene
Also Known As: 2-<4-Chlor-phenoxymethyl-benzoesaeure, Benzoic acid, p-(3-((2-mercaptoethyl)amino)propyl)amino-, ethyl ester, S-ester with hydrogen thiosulfate, S-2-(2-(p-Ethoxycarbonylanilino)propylamino)ethyl hydrogen thiosulfate, Ethanethiol, 2-(3-(p-ethoxycarbonylanilino)propylamino)-, S-ester with hydrogen thiosulfate, 1-ethoxycarbonyl-4-[3-(2-sulfosulfanylethylamino)propylamino]benzene
| Molecular Formula | C14H22N2O5S2 |
|---|---|
| Molecular Weight | 362.10 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 362.09702 |
| Heavy Atoms | 23 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 23563-78-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NCCCNCCSS(=O)(=O)O |
| InChIKey | UAAJQWHHGULTSL-UHFFFAOYSA-N |
Product Overview
RefChem:327823 (CAS 23563-78-2), with molecular formula C14H22N2O5S2 and molecular weight 362.10 g/mol. IUPAC: 1-ethoxycarbonyl-4-[3-(2-sulfosulfanylethylamino)propylamino]benzene.
Chemical Property Profile of RefChem:327823
Property Insights of RefChem:327823
The XLogP value of -0.4 indicates that RefChem:327823 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:327823. Following Lipinski's Rule of Five, RefChem:327823 has 3 hydrogen bond donor(s) and 8 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 RefChem:327823?
The CAS number of RefChem:327823 is 23563-78-2.
What is the molecular formula of RefChem:327823?
The molecular formula of RefChem:327823 is C14H22N2O5S2.
What is the molecular weight of RefChem:327823?
The molecular weight of RefChem:327823 is 362.10 g/mol.
Where can I buy RefChem:327823?
You can request a quote for RefChem:327823 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327823?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327823 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.