1-氯蒽醌
TL;DR: 1-氯蒽醌 (CAS 82-44-0) is a chemical compound with molecular formula C14H7ClO2 and molecular weight 242.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-氯蒽醌
1-chloroanthracene-9,10-dione
Also Known As: 1-CHLOROANTHRAQUINONE, 1-chloroanthracene-9,10-dione, 1-Chloro anthraquinone, 1-Chloranthrachinon, Anthraquinone, 1-chloro-
| Molecular Formula | C14H7ClO2 |
|---|---|
| Molecular Weight | 242.01 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 242.01346 |
| Heavy Atoms | 17 |
| Complexity | 352.0 |
| Melting Point | 162 °C |
| Boiling Point | Sublimes |
| Solubility | INSOL IN WATER; SLIGHTLY SOL IN HOT ALCOHOL; SOL IN NITROBENZENE & HOT AMYL ALCOHOL |
| Vapor Pressure | 0.00000087 [mmHg] |
Chemical Identifiers
| CAS Number | 82-44-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)Cl |
| InChIKey | BOCJQSFSGAZAPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-氯蒽醌 (CAS 82-44-0), with molecular formula C14H7ClO2 and molecular weight 242.01 g/mol. IUPAC: 1-chloroanthracene-9,10-dione.
Chemical Property Profile of 1-氯蒽醌
Property Insights of 1-氯蒽醌
The XLogP value of 4.0 indicates that 1-氯蒽醌 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 1-氯蒽醌 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-氯蒽醌 has 0 hydrogen bond donor(s) and 2 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-氯蒽醌?
The CAS number of 1-氯蒽醌 is 82-44-0.
What is the molecular formula of 1-氯蒽醌?
The molecular formula of 1-氯蒽醌 is C14H7ClO2.
What is the molecular weight of 1-氯蒽醌?
The molecular weight of 1-氯蒽醌 is 242.01 g/mol.
Where can I buy 1-氯蒽醌?
You can request a quote for 1-氯蒽醌 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-氯蒽醌?
Yes, KEHONG BIO provides custom synthesis services for 1-氯蒽醌 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.