1,5-Bis(o-carboxyphenylthio)anthraquinone
TL;DR: 1,5-Bis(o-carboxyphenylthio)anthraquinone (CAS 76404-13-2) is a chemical compound with molecular formula C28H16O6S2 and molecular weight 512.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(2-carboxyphenyl)sulfanyl-9,10-dioxoanthracen-1-yl]sulfanylbenzoic acid
Also Known As: 1,5-Bis(o-carboxyphenylthio)anthraquinone, EINECS 278-436-8, 1,5-bis(2-carboxyphenylthio)anthraquinone, 1,5-BIS(CARBOXYPHENYLTHIO)ANTHRAQUINONE, 2,2'-((9,10-Dihydro-9,10-dioxo-1,5-anthrylene)bis(thio))bisbenzoicacid
| Molecular Formula | C28H16O6S2 |
|---|---|
| Molecular Weight | 512.04 g/mol |
| LogP | 6.1608 |
| Topological Polar Surface Area | 108.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 512.0388 |
| Heavy Atoms | 36 |
| Complexity | 1471.9788 |
Chemical Identifiers
| CAS Number | 76404-13-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)SC5=CC=CC=C5C(=O)O |
Product Overview
1,5-Bis(o-carboxyphenylthio)anthraquinone (CAS 76404-13-2), with molecular formula C28H16O6S2 and molecular weight 512.04 g/mol. IUPAC: 2-[5-(2-carboxyphenyl)sulfanyl-9,10-dioxoanthracen-1-yl]sulfanylbenzoic acid.
Chemical Property Profile of 1,5-Bis(o-carboxyphenylthio)anthraquinone
Property Insights of 1,5-Bis(o-carboxyphenylthio)anthraquinone
The XLogP value of 6.1608 indicates that 1,5-Bis(o-carboxyphenylthio)anthraquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,5-Bis(o-carboxyphenylthio)anthraquinone. Following Lipinski's Rule of Five, 1,5-Bis(o-carboxyphenylthio)anthraquinone has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,5-Bis(o-carboxyphenylthio)anthraquinone?
The CAS number of 1,5-Bis(o-carboxyphenylthio)anthraquinone is 76404-13-2.
What is the molecular formula of 1,5-Bis(o-carboxyphenylthio)anthraquinone?
The molecular formula of 1,5-Bis(o-carboxyphenylthio)anthraquinone is C28H16O6S2.
What is the molecular weight of 1,5-Bis(o-carboxyphenylthio)anthraquinone?
The molecular weight of 1,5-Bis(o-carboxyphenylthio)anthraquinone is 512.04 g/mol.
Where can I buy 1,5-Bis(o-carboxyphenylthio)anthraquinone?
You can request a quote for 1,5-Bis(o-carboxyphenylthio)anthraquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Bis(o-carboxyphenylthio)anthraquinone?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Bis(o-carboxyphenylthio)anthraquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.