4-Butanoylresorcinol
TL;DR: 4-Butanoylresorcinol (CAS 4390-92-5) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dihydroxyphenyl)butan-1-one
Also Known As: 1-(2,4-dihydroxyphenyl)butan-1-one, 2',4'-Dihydroxybutyrophenone, 4-Butanoylresorcinol, Resobutyrophenone, 4-Butyrylresorcinol
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 179.0 |
| Melting Point | 73 °C |
Chemical Identifiers
| CAS Number | 4390-92-5 |
|---|---|
| SMILES | CCCC(=O)C1=C(C=C(C=C1)O)O |
| InChIKey | IWADIQGGJLCBRK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Butanoylresorcinol (CAS 4390-92-5), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: 1-(2,4-dihydroxyphenyl)butan-1-one.
Chemical Property Profile of 4-Butanoylresorcinol
Property Insights of 4-Butanoylresorcinol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Butanoylresorcinol. With a topological polar surface area (TPSA) of 57.5 Ų, 4-Butanoylresorcinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Butanoylresorcinol has 2 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 4-Butanoylresorcinol?
The CAS number of 4-Butanoylresorcinol is 4390-92-5.
What is the molecular formula of 4-Butanoylresorcinol?
The molecular formula of 4-Butanoylresorcinol is C10H12O3.
What is the molecular weight of 4-Butanoylresorcinol?
The molecular weight of 4-Butanoylresorcinol is 180.08 g/mol.
Where can I buy 4-Butanoylresorcinol?
You can request a quote for 4-Butanoylresorcinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Butanoylresorcinol?
Yes, KEHONG BIO provides custom synthesis services for 4-Butanoylresorcinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.