Isovaledione
TL;DR: Isovaledione (CAS 70017-93-5) is a chemical compound with molecular formula C14H14Cl2N2O3 and molecular weight 328.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,5-dichlorophenyl)-1-(3-methylbutanoyl)imidazolidine-2,4-dione
Also Known As: Isovaledione, Isovaledione [ISO], 3-1- imidazolidine-2,4-dione, 3- -1- imidazolidine-2,4-dione, 3-(3,5-dichlorophenyl)-1-(3-methylbutanoyl)imidazolidine-2,4-dione
| Molecular Formula | C14H14Cl2N2O3 |
|---|---|
| Molecular Weight | 328.04 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.03815 |
| Heavy Atoms | 21 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 70017-93-5 |
|---|---|
| SMILES | CC(C)CC(=O)N1CC(=O)N(C1=O)C2=CC(=CC(=C2)Cl)Cl |
| InChIKey | GPUHJQHXIFJPGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isovaledione (CAS 70017-93-5), with molecular formula C14H14Cl2N2O3 and molecular weight 328.04 g/mol. IUPAC: 3-(3,5-dichlorophenyl)-1-(3-methylbutanoyl)imidazolidine-2,4-dione.
Chemical Property Profile of Isovaledione
Property Insights of Isovaledione
The XLogP value of 3.2 indicates that Isovaledione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.7 Ų, Isovaledione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isovaledione has 0 hydrogen bond donor(s) and 3 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 Isovaledione?
The CAS number of Isovaledione is 70017-93-5.
What is the molecular formula of Isovaledione?
The molecular formula of Isovaledione is C14H14Cl2N2O3.
What is the molecular weight of Isovaledione?
The molecular weight of Isovaledione is 328.04 g/mol.
Where can I buy Isovaledione?
You can request a quote for Isovaledione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isovaledione?
Yes, KEHONG BIO provides custom synthesis services for Isovaledione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.