Neobavachalcone
TL;DR: Neobavachalcone (CAS 65621-10-5) 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.
4-hydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2-methoxybenzaldehyde
Also Known As: Neobavachalcone, 4-hydroxy-5-[-3-1-oxo-2-propenyl]-2-methoxybenzaldehyde, 4-Hydroxy-5-[ -3- -1-oxo-2-propenyl]-2-methoxybenzaldehyde, 4-hydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2-methoxybenzaldehyde, 4-hydroxy-5-((E)-3-(4-hydroxyphenyl)prop-2-enoyl)-2-methoxybenzaldehyde
| 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 | 65621-10-5 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C=O)C(=O)/C=C/C2=CC=C(C=C2)O)O |
Product Overview
Neobavachalcone (CAS 65621-10-5), with molecular formula C17H14O5 and molecular weight 298.08 g/mol. IUPAC: 4-hydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2-methoxybenzaldehyde.
Chemical Property Profile of Neobavachalcone
Property Insights of Neobavachalcone
The XLogP value of 2.815 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neobavachalcone. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Neobavachalcone. Following Lipinski's Rule of Five, Neobavachalcone 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 Neobavachalcone?
The CAS number of Neobavachalcone is 65621-10-5.
What is the molecular formula of Neobavachalcone?
The molecular formula of Neobavachalcone is C17H14O5.
What is the molecular weight of Neobavachalcone?
The molecular weight of Neobavachalcone is 298.08 g/mol.
Where can I buy Neobavachalcone?
You can request a quote for Neobavachalcone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neobavachalcone?
Yes, KEHONG BIO provides custom synthesis services for Neobavachalcone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.