3,3-Disulfanediylbis(2-(1,3-dioxoisoindolin-2-yl)propanoic acid)
TL;DR: 3,3-Disulfanediylbis(2-(1,3-dioxoisoindolin-2-yl)propanoic acid) (CAS 29588-96-3) is a chemical compound with molecular formula C22H16N2O8S2 and molecular weight 500.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-carboxy-2-(1,3-dioxoisoindol-2-yl)ethyl]disulfanyl]-2-(1,3-dioxoisoindol-2-yl)propanoic acid
Also Known As: N,N'-Diphthaloyl-L-cystine, 3,3-disulfanediylbis(2-(1,3-dioxoisoindolin-2-yl)propanoic acid), 3-[[2-Carboxy-2-(1,3-dioxoisoindol-2-yl)ethyl]disulfanyl]-2-(1,3-dioxoisoindol-2-yl)propanoic acid, 2-(1,3-dioxoisoindol-2-yl)-3-[[2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-3-oxopropyl]disulfanyl]propanoic acid, 2-(1,3-dioxoisoindolin-2-yl)-3-[[2-(1,3-dioxoisoindolin-2-yl)-3-hydroxy-3-oxo-propyl]disulfanyl]propanoic acid
| Molecular Formula | C22H16N2O8S2 |
|---|---|
| Molecular Weight | 500.03 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 200.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 500.03482 |
| Heavy Atoms | 34 |
| Complexity | 791.0 |
Chemical Identifiers
| CAS Number | 29588-96-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)C(CSSCC(C(=O)O)N3C(=O)C4=CC=CC=C4C3=O)C(=O)O |
| InChIKey | GUQBSPYSVBNDBP-UHFFFAOYSA-N |
Product Overview
3,3-Disulfanediylbis(2-(1,3-dioxoisoindolin-2-yl)propanoic acid) (CAS 29588-96-3), with molecular formula C22H16N2O8S2 and molecular weight 500.03 g/mol. IUPAC: 3-[[2-carboxy-2-(1,3-dioxoisoindol-2-yl)ethyl]disulfanyl]-2-(1,3-dioxoisoindol-2-yl)propanoic acid.
Chemical Property Profile of 3,3-Disulfanediylbis(2-(1,3-dioxoisoindolin-2-yl)propanoic acid)
Property Insights of 3,3-Disulfanediylbis(2-(1,3-dioxoisoindolin-2-yl)propanoic acid)
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Disulfanediylbis(2-(1,3-dioxoisoindolin-2-yl)propanoic acid). The TPSA of 200.0 Ų indicates high polarity, suggesting 3,3-Disulfanediylbis(2-(1,3-dioxoisoindolin-2-yl)propanoic acid) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,3-Disulfanediylbis(2-(1,3-dioxoisoindolin-2-yl)propanoic acid) has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3-Disulfanediylbis(2-(1,3-dioxoisoindolin-2-yl)propanoic acid)?
The CAS number of 3,3-Disulfanediylbis(2-(1,3-dioxoisoindolin-2-yl)propanoic acid) is 29588-96-3.
What is the molecular formula of 3,3-Disulfanediylbis(2-(1,3-dioxoisoindolin-2-yl)propanoic acid)?
The molecular formula of 3,3-Disulfanediylbis(2-(1,3-dioxoisoindolin-2-yl)propanoic acid) is C22H16N2O8S2.
What is the molecular weight of 3,3-Disulfanediylbis(2-(1,3-dioxoisoindolin-2-yl)propanoic acid)?
The molecular weight of 3,3-Disulfanediylbis(2-(1,3-dioxoisoindolin-2-yl)propanoic acid) is 500.03 g/mol.
Where can I buy 3,3-Disulfanediylbis(2-(1,3-dioxoisoindolin-2-yl)propanoic acid)?
You can request a quote for 3,3-Disulfanediylbis(2-(1,3-dioxoisoindolin-2-yl)propanoic acid) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Disulfanediylbis(2-(1,3-dioxoisoindolin-2-yl)propanoic acid)?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Disulfanediylbis(2-(1,3-dioxoisoindolin-2-yl)propanoic acid) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.