Propanoic acid, 3,3'-((9,10-dihydro-9,10-dioxo-1,8-anthracenediyl)bis(thio))bis-
TL;DR: Propanoic acid, 3,3'-((9,10-dihydro-9,10-dioxo-1,8-anthracenediyl)bis(thio))bis- (CAS 69657-91-6) is a chemical compound with molecular formula C20H16O6S2 and molecular weight 416.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[8-(2-carboxyethylsulfanyl)-9,10-dioxoanthracen-1-yl]sulfanylpropanoic acid
Also Known As: Propanoic acid, 3,3'-((9,10-dihydro-9,10-dioxo-1,8-anthracenediyl)bis(thio))bis-, 3,3'-[(9,10-Dioxo-9,10-dihydroanthracene-1,8-diyl)bis(sulfanediyl)]dipropanoic acid, 3-[8-(2-carboxyethylsulfanyl)-9,10-dioxoanthracen-1-yl]sulfanylpropanoic acid
| Molecular Formula | C20H16O6S2 |
|---|---|
| Molecular Weight | 416.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 416.03882 |
| Heavy Atoms | 28 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 69657-91-6 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)SCCC(=O)O)C(=O)C3=C(C2=O)C=CC=C3SCCC(=O)O |
| InChIKey | WFEFQQUUWCDPPB-UHFFFAOYSA-N |
Product Overview
Propanoic acid, 3,3'-((9,10-dihydro-9,10-dioxo-1,8-anthracenediyl)bis(thio))bis- (CAS 69657-91-6), with molecular formula C20H16O6S2 and molecular weight 416.04 g/mol. IUPAC: 3-[8-(2-carboxyethylsulfanyl)-9,10-dioxoanthracen-1-yl]sulfanylpropanoic acid.
Chemical Property Profile of Propanoic acid, 3,3'-((9,10-dihydro-9,10-dioxo-1,8-anthracenediyl)bis(thio))bis-
Property Insights of Propanoic acid, 3,3'-((9,10-dihydro-9,10-dioxo-1,8-anthracenediyl)bis(thio))bis-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 3,3'-((9,10-dihydro-9,10-dioxo-1,8-anthracenediyl)bis(thio))bis-. The TPSA of 159.0 Ų indicates high polarity, suggesting Propanoic acid, 3,3'-((9,10-dihydro-9,10-dioxo-1,8-anthracenediyl)bis(thio))bis- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Propanoic acid, 3,3'-((9,10-dihydro-9,10-dioxo-1,8-anthracenediyl)bis(thio))bis- has 2 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 Propanoic acid, 3,3'-((9,10-dihydro-9,10-dioxo-1,8-anthracenediyl)bis(thio))bis-?
The CAS number of Propanoic acid, 3,3'-((9,10-dihydro-9,10-dioxo-1,8-anthracenediyl)bis(thio))bis- is 69657-91-6.
What is the molecular formula of Propanoic acid, 3,3'-((9,10-dihydro-9,10-dioxo-1,8-anthracenediyl)bis(thio))bis-?
The molecular formula of Propanoic acid, 3,3'-((9,10-dihydro-9,10-dioxo-1,8-anthracenediyl)bis(thio))bis- is C20H16O6S2.
What is the molecular weight of Propanoic acid, 3,3'-((9,10-dihydro-9,10-dioxo-1,8-anthracenediyl)bis(thio))bis-?
The molecular weight of Propanoic acid, 3,3'-((9,10-dihydro-9,10-dioxo-1,8-anthracenediyl)bis(thio))bis- is 416.04 g/mol.
Where can I buy Propanoic acid, 3,3'-((9,10-dihydro-9,10-dioxo-1,8-anthracenediyl)bis(thio))bis-?
You can request a quote for Propanoic acid, 3,3'-((9,10-dihydro-9,10-dioxo-1,8-anthracenediyl)bis(thio))bis- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 3,3'-((9,10-dihydro-9,10-dioxo-1,8-anthracenediyl)bis(thio))bis-?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 3,3'-((9,10-dihydro-9,10-dioxo-1,8-anthracenediyl)bis(thio))bis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.