3,5-Dichloropentan-2-one
TL;DR: 3,5-Dichloropentan-2-one (CAS 58371-98-5) is a chemical compound with molecular formula C5H8Cl2O and molecular weight 154.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dichloropentan-2-one
Also Known As: 3,5-Dichloropentan-2-one, 2-Pentanone, 3,5-dichloro-, 3,5-dichloro-2-pentanone, 3,5-dichloro-pentan-2-one, 261-227-0
| Molecular Formula | C5H8Cl2O |
|---|---|
| Molecular Weight | 154.00 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 153.99522 |
| Heavy Atoms | 8 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 58371-98-5 |
|---|---|
| SMILES | CC(=O)C(CCCl)Cl |
| InChIKey | NOSBOKVYSXXKFL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dichloropentan-2-one (CAS 58371-98-5), with molecular formula C5H8Cl2O and molecular weight 154.00 g/mol. IUPAC: 3,5-dichloropentan-2-one.
Chemical Property Profile of 3,5-Dichloropentan-2-one
Property Insights of 3,5-Dichloropentan-2-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dichloropentan-2-one. With a topological polar surface area (TPSA) of 17.1 Ų, 3,5-Dichloropentan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dichloropentan-2-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 3,5-Dichloropentan-2-one?
The CAS number of 3,5-Dichloropentan-2-one is 58371-98-5.
What is the molecular formula of 3,5-Dichloropentan-2-one?
The molecular formula of 3,5-Dichloropentan-2-one is C5H8Cl2O.
What is the molecular weight of 3,5-Dichloropentan-2-one?
The molecular weight of 3,5-Dichloropentan-2-one is 154.00 g/mol.
Where can I buy 3,5-Dichloropentan-2-one?
You can request a quote for 3,5-Dichloropentan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dichloropentan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dichloropentan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.