Isoneobavachalcone
TL;DR: Isoneobavachalcone (CAS 76444-57-0) is a chemical compound with molecular formula C17H14O5 and molecular weight 298.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-4-methoxybenzaldehyde
Also Known As: Isoneobavachalcone, 2-hydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-4-methoxybenzaldehyde, 2-hydroxy-5-((E)-3-(4-hydroxyphenyl)prop-2-enoyl)-4-methoxybenzaldehyde, RefChem:149573
| Molecular Formula | C17H14O5 |
|---|---|
| Molecular Weight | 298.08 g/mol |
| LogP | 2.815 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 298.08414 |
| Heavy Atoms | 22 |
| Complexity | 729.45966 |
Chemical Identifiers
| CAS Number | 76444-57-0 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)O)C=O)C(=O)/C=C/C2=CC=C(C=C2)O |
Product Overview
Isoneobavachalcone (CAS 76444-57-0), with molecular formula C17H14O5 and molecular weight 298.08 g/mol. IUPAC: 2-hydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-4-methoxybenzaldehyde.
Chemical Property Profile of Isoneobavachalcone
Property Insights of Isoneobavachalcone
The XLogP value of 2.815 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoneobavachalcone. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoneobavachalcone. Following Lipinski's Rule of Five, Isoneobavachalcone has 2 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 Isoneobavachalcone?
The CAS number of Isoneobavachalcone is 76444-57-0.
What is the molecular formula of Isoneobavachalcone?
The molecular formula of Isoneobavachalcone is C17H14O5.
What is the molecular weight of Isoneobavachalcone?
The molecular weight of Isoneobavachalcone is 298.08 g/mol.
Where can I buy Isoneobavachalcone?
You can request a quote for Isoneobavachalcone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoneobavachalcone?
Yes, KEHONG BIO provides custom synthesis services for Isoneobavachalcone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.