1-(3-Chlorophenyl)-5-phenylpentane-1,3,5-trione
TL;DR: 1-(3-Chlorophenyl)-5-phenylpentane-1,3,5-trione (CAS 31110-40-4) is a chemical compound with molecular formula C17H13ClO3 and molecular weight 300.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenyl)-5-phenylpentane-1,3,5-trione
Also Known As: KST-1B2949, 1-(3-chlorophenyl)-5-phenylpentane-1,3,5-trione, 1,3,5-Pentanetrione,1-(3-chlorophenyl)-5-phenyl-
| Molecular Formula | C17H13ClO3 |
|---|---|
| Molecular Weight | 300.06 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 300.05533 |
| Heavy Atoms | 21 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 31110-40-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CC(=O)CC(=O)C2=CC(=CC=C2)Cl |
| InChIKey | WTFVUWNHNQDAHY-UHFFFAOYSA-N |
Product Overview
1-(3-Chlorophenyl)-5-phenylpentane-1,3,5-trione (CAS 31110-40-4), with molecular formula C17H13ClO3 and molecular weight 300.06 g/mol. IUPAC: 1-(3-chlorophenyl)-5-phenylpentane-1,3,5-trione.
Chemical Property Profile of 1-(3-Chlorophenyl)-5-phenylpentane-1,3,5-trione
Property Insights of 1-(3-Chlorophenyl)-5-phenylpentane-1,3,5-trione
The XLogP value of 3.6 indicates that 1-(3-Chlorophenyl)-5-phenylpentane-1,3,5-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.2 Ų, 1-(3-Chlorophenyl)-5-phenylpentane-1,3,5-trione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chlorophenyl)-5-phenylpentane-1,3,5-trione 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 1-(3-Chlorophenyl)-5-phenylpentane-1,3,5-trione?
The CAS number of 1-(3-Chlorophenyl)-5-phenylpentane-1,3,5-trione is 31110-40-4.
What is the molecular formula of 1-(3-Chlorophenyl)-5-phenylpentane-1,3,5-trione?
The molecular formula of 1-(3-Chlorophenyl)-5-phenylpentane-1,3,5-trione is C17H13ClO3.
What is the molecular weight of 1-(3-Chlorophenyl)-5-phenylpentane-1,3,5-trione?
The molecular weight of 1-(3-Chlorophenyl)-5-phenylpentane-1,3,5-trione is 300.06 g/mol.
Where can I buy 1-(3-Chlorophenyl)-5-phenylpentane-1,3,5-trione?
You can request a quote for 1-(3-Chlorophenyl)-5-phenylpentane-1,3,5-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chlorophenyl)-5-phenylpentane-1,3,5-trione?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chlorophenyl)-5-phenylpentane-1,3,5-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.