3-Chloroanthracen-9(10h)-one
TL;DR: 3-Chloroanthracen-9(10h)-one (CAS 4887-99-4) is a chemical compound with molecular formula C14H9ClO and molecular weight 228.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-10H-anthracen-9-one
Also Known As: 2-Chloroanthrone, 3-chloroanthrone, 3-chloroanthracen-9(10h)-one, 3-chloro-10H-anthracen-9-one, EINECS 225-506-0
| Molecular Formula | C14H9ClO |
|---|---|
| Molecular Weight | 228.03 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.0342 |
| Heavy Atoms | 16 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 4887-99-4 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(=O)C3=C1C=C(C=C3)Cl |
| InChIKey | MVPQIDZRNBWJEX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloroanthracen-9(10h)-one (CAS 4887-99-4), with molecular formula C14H9ClO and molecular weight 228.03 g/mol. IUPAC: 3-chloro-10H-anthracen-9-one.
Chemical Property Profile of 3-Chloroanthracen-9(10h)-one
Property Insights of 3-Chloroanthracen-9(10h)-one
The XLogP value of 4.3 indicates that 3-Chloroanthracen-9(10h)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Chloroanthracen-9(10h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloroanthracen-9(10h)-one has 0 hydrogen bond donor(s) and 1 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 3-Chloroanthracen-9(10h)-one?
The CAS number of 3-Chloroanthracen-9(10h)-one is 4887-99-4.
What is the molecular formula of 3-Chloroanthracen-9(10h)-one?
The molecular formula of 3-Chloroanthracen-9(10h)-one is C14H9ClO.
What is the molecular weight of 3-Chloroanthracen-9(10h)-one?
The molecular weight of 3-Chloroanthracen-9(10h)-one is 228.03 g/mol.
Where can I buy 3-Chloroanthracen-9(10h)-one?
You can request a quote for 3-Chloroanthracen-9(10h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloroanthracen-9(10h)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloroanthracen-9(10h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.