Obovatal
TL;DR: Obovatal (CAS 83864-77-1) is a chemical compound with molecular formula C18H16O4 and molecular weight 296.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[3,4-dihydroxy-5-(4-prop-2-enylphenoxy)phenyl]prop-2-enal
Also Known As: Obovatal, 3,4-Dihydroxy-5-(4-allylphenoxy)cinnamic aldehyde, (E)-3-[3,4-dihydroxy-5-(4-prop-2-enylphenoxy)phenyl]prop-2-enal, 3-(3-(4-allylphenoxy)-4,5-dihydroxyphenyl)acrylaldehyde, (E)-3-(3-(4-Allylphenoxy)-4,5-dihydroxyphenyl)acrylaldehyde
| Molecular Formula | C18H16O4 |
|---|---|
| Molecular Weight | 296.10 g/mol |
| LogP | 3.8307 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 296.10486 |
| Heavy Atoms | 22 |
| Complexity | 699.7723 |
Chemical Identifiers
| CAS Number | 83864-77-1 |
|---|---|
| SMILES | C=CCC1=CC=C(C=C1)OC2=CC(=CC(=C2O)O)/C=C/C=O |
Product Overview
Obovatal (CAS 83864-77-1), with molecular formula C18H16O4 and molecular weight 296.10 g/mol. IUPAC: (E)-3-[3,4-dihydroxy-5-(4-prop-2-enylphenoxy)phenyl]prop-2-enal.
Chemical Property Profile of Obovatal
Property Insights of Obovatal
The XLogP value of 3.8307 indicates that Obovatal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Obovatal. Following Lipinski's Rule of Five, Obovatal has 2 hydrogen bond donor(s) and 4 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 Obovatal?
The CAS number of Obovatal is 83864-77-1.
What is the molecular formula of Obovatal?
The molecular formula of Obovatal is C18H16O4.
What is the molecular weight of Obovatal?
The molecular weight of Obovatal is 296.10 g/mol.
Where can I buy Obovatal?
You can request a quote for Obovatal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Obovatal?
Yes, KEHONG BIO provides custom synthesis services for Obovatal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.