1-(3-Chloro-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone
TL;DR: 1-(3-Chloro-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone (CAS 113411-17-9) is a chemical compound with molecular formula C13H17ClO4 and molecular weight 272.08154 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-chloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one
Also Known As: Dif-3 (dictyostelium), DIF3, 1-(3-chloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one, 1-(3-Chloro-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone, Differentiation-inducing factor 3
Technical Specifications
| Molecular Formula | C13H17ClO4 |
| Molecular Weight | 272.08154 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 272.08154 Da |
| Heavy Atoms | 18 |
| Complexity | 272.0 |
| SMILES | CCCCCC(=O)C1=C(C(=C(C=C1O)OC)Cl)O |
| InChIKey | JWBMZIJMSBFBIY-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3-Chloro-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone
Property Insights of 1-(3-Chloro-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone
The XLogP value of 4.0 indicates that 1-(3-Chloro-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Chloro-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone. Following Lipinski's Rule of Five, 1-(3-Chloro-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(3-Chloro-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone?
The CAS number of 1-(3-Chloro-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone is 113411-17-9.
What is the molecular formula of 1-(3-Chloro-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone?
The molecular formula of 1-(3-Chloro-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone is C13H17ClO4.
What is the molecular weight of 1-(3-Chloro-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone?
The molecular weight of 1-(3-Chloro-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone is 272.08154 g/mol.
Where can I buy 1-(3-Chloro-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone?
You can request a quote for 1-(3-Chloro-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3-Chloro-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone?
Yes, CoreyChem provides custom synthesis services for 1-(3-Chloro-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.