Diisethionyl-3,3'-dithiobispropionimidate
TL;DR: Diisethionyl-3,3'-dithiobispropionimidate (CAS 78303-20-5) is a chemical compound with molecular formula C10H20N2O8S4 and molecular weight 424.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[[3-imino-3-(2-sulfoethoxy)propyl]disulfanyl]propanimidoyloxy]ethanesulfonic acid
Also Known As: DIDIT, Diisethionyl-3,3'-dithiobispropionimidate, Propanimidic acid, 3,3'-dithiobis-, bis(2-sulfoethyl) ester, 2-[3-[[3-imino-3-(2-sulfoethoxy)propyl]disulfanyl]propanimidoyloxy]ethanesulfonic acid, Propanimidic acid,3,3'-dithiobis-, bis(2-sulfoethyl) ester (9CI)
| Molecular Formula | C10H20N2O8S4 |
|---|---|
| Molecular Weight | 424.01 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 242.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 424.01025 |
| Heavy Atoms | 24 |
| Complexity | 539.0 |
Chemical Identifiers
| CAS Number | 78303-20-5 |
|---|---|
| SMILES | C(CSSCCC(=N)OCCS(=O)(=O)O)C(=N)OCCS(=O)(=O)O |
| InChIKey | ABBUUCUWKMITDW-UHFFFAOYSA-N |
Product Overview
Diisethionyl-3,3'-dithiobispropionimidate (CAS 78303-20-5), with molecular formula C10H20N2O8S4 and molecular weight 424.01 g/mol. IUPAC: 2-[3-[[3-imino-3-(2-sulfoethoxy)propyl]disulfanyl]propanimidoyloxy]ethanesulfonic acid.
Chemical Property Profile of Diisethionyl-3,3'-dithiobispropionimidate
Property Insights of Diisethionyl-3,3'-dithiobispropionimidate
The XLogP value of -1.5 indicates that Diisethionyl-3,3'-dithiobispropionimidate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 242.0 Ų indicates high polarity, suggesting Diisethionyl-3,3'-dithiobispropionimidate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diisethionyl-3,3'-dithiobispropionimidate has 4 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 Diisethionyl-3,3'-dithiobispropionimidate?
The CAS number of Diisethionyl-3,3'-dithiobispropionimidate is 78303-20-5.
What is the molecular formula of Diisethionyl-3,3'-dithiobispropionimidate?
The molecular formula of Diisethionyl-3,3'-dithiobispropionimidate is C10H20N2O8S4.
What is the molecular weight of Diisethionyl-3,3'-dithiobispropionimidate?
The molecular weight of Diisethionyl-3,3'-dithiobispropionimidate is 424.01 g/mol.
Where can I buy Diisethionyl-3,3'-dithiobispropionimidate?
You can request a quote for Diisethionyl-3,3'-dithiobispropionimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisethionyl-3,3'-dithiobispropionimidate?
Yes, KEHONG BIO provides custom synthesis services for Diisethionyl-3,3'-dithiobispropionimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.