1,1-Dichloro-2,4-pentanedione
TL;DR: 1,1-Dichloro-2,4-pentanedione (CAS 53009-77-1) is a chemical compound with molecular formula C5H6Cl2O2 and molecular weight 167.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dichloropentane-2,4-dione
Also Known As: dichloroacetylacetone, 1,1-Dichloro-2,4-pentanedione, 1,1-dichloropentane-2,4-dione, 2,4-Pentanedione, 1,1-dichloro-, 1,1-dichloro-pentane-2,4-dione
| Molecular Formula | C5H6Cl2O2 |
|---|---|
| Molecular Weight | 167.97 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 167.97449 |
| Heavy Atoms | 9 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 53009-77-1 |
|---|---|
| SMILES | CC(=O)CC(=O)C(Cl)Cl |
| InChIKey | AZJYSPQUIRCAHZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Dichloro-2,4-pentanedione (CAS 53009-77-1), with molecular formula C5H6Cl2O2 and molecular weight 167.97 g/mol. IUPAC: 1,1-dichloropentane-2,4-dione.
Chemical Property Profile of 1,1-Dichloro-2,4-pentanedione
Property Insights of 1,1-Dichloro-2,4-pentanedione
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dichloro-2,4-pentanedione. With a topological polar surface area (TPSA) of 34.1 Ų, 1,1-Dichloro-2,4-pentanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dichloro-2,4-pentanedione 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 1,1-Dichloro-2,4-pentanedione?
The CAS number of 1,1-Dichloro-2,4-pentanedione is 53009-77-1.
What is the molecular formula of 1,1-Dichloro-2,4-pentanedione?
The molecular formula of 1,1-Dichloro-2,4-pentanedione is C5H6Cl2O2.
What is the molecular weight of 1,1-Dichloro-2,4-pentanedione?
The molecular weight of 1,1-Dichloro-2,4-pentanedione is 167.97 g/mol.
Where can I buy 1,1-Dichloro-2,4-pentanedione?
You can request a quote for 1,1-Dichloro-2,4-pentanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dichloro-2,4-pentanedione?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dichloro-2,4-pentanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.