Hydroxy-2-(3-sulfopropoxy)anthraquinone, 1-
TL;DR: Hydroxy-2-(3-sulfopropoxy)anthraquinone, 1- (CAS 126590-66-7) is a chemical compound with molecular formula C17H14O7S and molecular weight 362.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-hydroxy-9,10-dioxoanthracen-2-yl)oxypropane-1-sulfonic acid
Also Known As: 1-Hydroxy-2-(3-sulfopropoxy)-9,10-anthraquinone, Hydroxy-2-(3-sulfopropoxy)anthraquinone, 1-, 3-(1-hydroxy-9,10-dioxo-anthracen-2-yl)oxypropane-1-sulfonic Acid, 3-(1-hydroxy-9,10-dioxoanthracen-2-yl)oxypropane-1-sulfonic acid, 3-[(1-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]propane-1-sulfonic acid
| Molecular Formula | C17H14O7S |
|---|---|
| Molecular Weight | 362.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.04602 |
| Heavy Atoms | 25 |
| Complexity | 623.0 |
Chemical Identifiers
| CAS Number | 126590-66-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)OCCCS(=O)(=O)O)O |
| InChIKey | OTHKCGPMOXFLDM-UHFFFAOYSA-N |
Product Overview
Hydroxy-2-(3-sulfopropoxy)anthraquinone, 1- (CAS 126590-66-7), with molecular formula C17H14O7S and molecular weight 362.05 g/mol. IUPAC: 3-(1-hydroxy-9,10-dioxoanthracen-2-yl)oxypropane-1-sulfonic acid.
Chemical Property Profile of Hydroxy-2-(3-sulfopropoxy)anthraquinone, 1-
Property Insights of Hydroxy-2-(3-sulfopropoxy)anthraquinone, 1-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydroxy-2-(3-sulfopropoxy)anthraquinone, 1-. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Hydroxy-2-(3-sulfopropoxy)anthraquinone, 1-. Following Lipinski's Rule of Five, Hydroxy-2-(3-sulfopropoxy)anthraquinone, 1- has 2 hydrogen bond donor(s) and 7 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 Hydroxy-2-(3-sulfopropoxy)anthraquinone, 1-?
The CAS number of Hydroxy-2-(3-sulfopropoxy)anthraquinone, 1- is 126590-66-7.
What is the molecular formula of Hydroxy-2-(3-sulfopropoxy)anthraquinone, 1-?
The molecular formula of Hydroxy-2-(3-sulfopropoxy)anthraquinone, 1- is C17H14O7S.
What is the molecular weight of Hydroxy-2-(3-sulfopropoxy)anthraquinone, 1-?
The molecular weight of Hydroxy-2-(3-sulfopropoxy)anthraquinone, 1- is 362.05 g/mol.
Where can I buy Hydroxy-2-(3-sulfopropoxy)anthraquinone, 1-?
You can request a quote for Hydroxy-2-(3-sulfopropoxy)anthraquinone, 1- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydroxy-2-(3-sulfopropoxy)anthraquinone, 1-?
Yes, KEHONG BIO provides custom synthesis services for Hydroxy-2-(3-sulfopropoxy)anthraquinone, 1- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.