1-(4-Phenoxyphenyl)butane-1,3-dione
TL;DR: 1-(4-Phenoxyphenyl)butane-1,3-dione (CAS 56290-49-4) is a chemical compound with molecular formula C16H14O3 and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-phenoxyphenyl)butane-1,3-dione
Also Known As: 1-(4-Phenoxyphenyl)butane-1,3-dione, progesterone, 1- butane-1,3-dione, 4-Acetacetyl-diphenyloxid, 1-(4-Phenoxyphenyl)-1,3-butanedione
| Molecular Formula | C16H14O3 |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.0943 |
| Heavy Atoms | 19 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 56290-49-4 |
|---|---|
| SMILES | CC(=O)CC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2 |
| InChIKey | XDGMOBFJXPWPNT-UHFFFAOYSA-N |
Product Overview
1-(4-Phenoxyphenyl)butane-1,3-dione (CAS 56290-49-4), with molecular formula C16H14O3 and molecular weight 254.09 g/mol. IUPAC: 1-(4-phenoxyphenyl)butane-1,3-dione.
Chemical Property Profile of 1-(4-Phenoxyphenyl)butane-1,3-dione
Property Insights of 1-(4-Phenoxyphenyl)butane-1,3-dione
The XLogP value of 3.0 indicates that 1-(4-Phenoxyphenyl)butane-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 1-(4-Phenoxyphenyl)butane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Phenoxyphenyl)butane-1,3-dione 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-(4-Phenoxyphenyl)butane-1,3-dione?
The CAS number of 1-(4-Phenoxyphenyl)butane-1,3-dione is 56290-49-4.
What is the molecular formula of 1-(4-Phenoxyphenyl)butane-1,3-dione?
The molecular formula of 1-(4-Phenoxyphenyl)butane-1,3-dione is C16H14O3.
What is the molecular weight of 1-(4-Phenoxyphenyl)butane-1,3-dione?
The molecular weight of 1-(4-Phenoxyphenyl)butane-1,3-dione is 254.09 g/mol.
Where can I buy 1-(4-Phenoxyphenyl)butane-1,3-dione?
You can request a quote for 1-(4-Phenoxyphenyl)butane-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Phenoxyphenyl)butane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Phenoxyphenyl)butane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.