1-(3,4-Dihydroxyphenyl)-1-butanone
TL;DR: 1-(3,4-Dihydroxyphenyl)-1-butanone (CAS 17386-89-9) 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-(3,4-dihydroxyphenyl)butan-1-one
Also Known As: 1-(3,4-dihydroxyphenyl)butan-1-one, 4-Butyroylpyrocatechol, 3',4'-Dihydroxybutyrophenone, 4-Butyrylpyrocatechol, 3',4'-Dihydroxy-1-phenyl-2-butanone
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 1.7 |
| 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 |
Chemical Identifiers
| CAS Number | 17386-89-9 |
|---|---|
| SMILES | CCCC(=O)C1=CC(=C(C=C1)O)O |
| InChIKey | NLERVTXJOGYIKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3,4-Dihydroxyphenyl)-1-butanone (CAS 17386-89-9), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: 1-(3,4-dihydroxyphenyl)butan-1-one.
Chemical Property Profile of 1-(3,4-Dihydroxyphenyl)-1-butanone
Property Insights of 1-(3,4-Dihydroxyphenyl)-1-butanone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-Dihydroxyphenyl)-1-butanone. With a topological polar surface area (TPSA) of 57.5 Ų, 1-(3,4-Dihydroxyphenyl)-1-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Dihydroxyphenyl)-1-butanone 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 1-(3,4-Dihydroxyphenyl)-1-butanone?
The CAS number of 1-(3,4-Dihydroxyphenyl)-1-butanone is 17386-89-9.
What is the molecular formula of 1-(3,4-Dihydroxyphenyl)-1-butanone?
The molecular formula of 1-(3,4-Dihydroxyphenyl)-1-butanone is C10H12O3.
What is the molecular weight of 1-(3,4-Dihydroxyphenyl)-1-butanone?
The molecular weight of 1-(3,4-Dihydroxyphenyl)-1-butanone is 180.08 g/mol.
Where can I buy 1-(3,4-Dihydroxyphenyl)-1-butanone?
You can request a quote for 1-(3,4-Dihydroxyphenyl)-1-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dihydroxyphenyl)-1-butanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dihydroxyphenyl)-1-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.