1-Chlorosulfonylanthraquinone
TL;DR: 1-Chlorosulfonylanthraquinone (CAS 4025-69-8) is a chemical compound with molecular formula C14H7ClO4S and molecular weight 305.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,10-dioxoanthracene-1-sulfonyl chloride
Also Known As: 1-Chlorosulfonylanthraquinone, Anthrachinonsulfochlorid, 1-Anthraquinonesulfonyl chloride, 9,10-dioxoanthracene-1-sulfonyl chloride, 9,10-Dioxo-9,10-dihydroanthracene-1-sulfonyl chloride
| Molecular Formula | C14H7ClO4S |
|---|---|
| Molecular Weight | 305.98 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 305.97537 |
| Heavy Atoms | 20 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 4025-69-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)S(=O)(=O)Cl |
| InChIKey | YRHBFXZMYZMWFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chlorosulfonylanthraquinone (CAS 4025-69-8), with molecular formula C14H7ClO4S and molecular weight 305.98 g/mol. IUPAC: 9,10-dioxoanthracene-1-sulfonyl chloride.
Chemical Property Profile of 1-Chlorosulfonylanthraquinone
Property Insights of 1-Chlorosulfonylanthraquinone
The XLogP value of 3.4 indicates that 1-Chlorosulfonylanthraquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Chlorosulfonylanthraquinone. Following Lipinski's Rule of Five, 1-Chlorosulfonylanthraquinone has 0 hydrogen bond donor(s) and 4 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 1-Chlorosulfonylanthraquinone?
The CAS number of 1-Chlorosulfonylanthraquinone is 4025-69-8.
What is the molecular formula of 1-Chlorosulfonylanthraquinone?
The molecular formula of 1-Chlorosulfonylanthraquinone is C14H7ClO4S.
What is the molecular weight of 1-Chlorosulfonylanthraquinone?
The molecular weight of 1-Chlorosulfonylanthraquinone is 305.98 g/mol.
Where can I buy 1-Chlorosulfonylanthraquinone?
You can request a quote for 1-Chlorosulfonylanthraquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chlorosulfonylanthraquinone?
Yes, KEHONG BIO provides custom synthesis services for 1-Chlorosulfonylanthraquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.