Homobutein
TL;DR: Homobutein (CAS 21583-31-3) is a chemical compound with molecular formula C16H14O5 and molecular weight 286.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
Also Known As: Homobutein, 3-O-Methylbutein, EINECS 251-782-7, 3-Methoxy-2',4',4-trihydroxychalcone, 2',4,4'-Trihydroxy-3-methoxychalcone
| Molecular Formula | C16H14O5 |
|---|---|
| Molecular Weight | 286.08 g/mol |
| LogP | 2.7081 |
| Topological Polar Surface Area | 86.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.08414 |
| Heavy Atoms | 21 |
| Complexity | 703.80865 |
Chemical Identifiers
| CAS Number | 21583-31-3 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/C(=O)C2=C(C=C(C=C2)O)O)O |
Product Overview
Homobutein (CAS 21583-31-3), with molecular formula C16H14O5 and molecular weight 286.08 g/mol. IUPAC: (E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one.
Chemical Property Profile of Homobutein
Property Insights of Homobutein
The XLogP value of 2.7081 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Homobutein. The TPSA of 86.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Homobutein. Following Lipinski's Rule of Five, Homobutein has 3 hydrogen bond donor(s) and 5 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 Homobutein?
The CAS number of Homobutein is 21583-31-3.
What is the molecular formula of Homobutein?
The molecular formula of Homobutein is C16H14O5.
What is the molecular weight of Homobutein?
The molecular weight of Homobutein is 286.08 g/mol.
Where can I buy Homobutein?
You can request a quote for Homobutein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Homobutein?
Yes, KEHONG BIO provides custom synthesis services for Homobutein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.