1,3-Bis(3-chlorophenyl)propane-1,3-dione
TL;DR: 1,3-Bis(3-chlorophenyl)propane-1,3-dione (CAS 104121-61-1) is a chemical compound with molecular formula C15H10Cl2O2 and molecular weight 292.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(3-chlorophenyl)propane-1,3-dione
Also Known As: 1,3-bis(3-chlorophenyl)propane-1,3-dione, di(m-chlorobenzoyl)methane, 1, 1,3-bis(m-chlorophenyl)-, 1, 1,3-bis(3-chlorophenyl)-, 1,3-Propanedione, 1,3-bis(3-chlorophenyl)-
| Molecular Formula | C15H10Cl2O2 |
|---|---|
| Molecular Weight | 292.01 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.0058 |
| Heavy Atoms | 19 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 104121-61-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C(=O)CC(=O)C2=CC(=CC=C2)Cl |
| InChIKey | MGMNGNDIJHTGOF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Bis(3-chlorophenyl)propane-1,3-dione (CAS 104121-61-1), with molecular formula C15H10Cl2O2 and molecular weight 292.01 g/mol. IUPAC: 1,3-bis(3-chlorophenyl)propane-1,3-dione.
Chemical Property Profile of 1,3-Bis(3-chlorophenyl)propane-1,3-dione
Property Insights of 1,3-Bis(3-chlorophenyl)propane-1,3-dione
The XLogP value of 4.4 indicates that 1,3-Bis(3-chlorophenyl)propane-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 1,3-Bis(3-chlorophenyl)propane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Bis(3-chlorophenyl)propane-1,3-dione 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 1,3-Bis(3-chlorophenyl)propane-1,3-dione?
The CAS number of 1,3-Bis(3-chlorophenyl)propane-1,3-dione is 104121-61-1.
What is the molecular formula of 1,3-Bis(3-chlorophenyl)propane-1,3-dione?
The molecular formula of 1,3-Bis(3-chlorophenyl)propane-1,3-dione is C15H10Cl2O2.
What is the molecular weight of 1,3-Bis(3-chlorophenyl)propane-1,3-dione?
The molecular weight of 1,3-Bis(3-chlorophenyl)propane-1,3-dione is 292.01 g/mol.
Where can I buy 1,3-Bis(3-chlorophenyl)propane-1,3-dione?
You can request a quote for 1,3-Bis(3-chlorophenyl)propane-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis(3-chlorophenyl)propane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(3-chlorophenyl)propane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.