Isoamericanin A
TL;DR: Isoamericanin A (CAS 69506-79-2) is a chemical compound with molecular formula C18H16O6 and molecular weight 328.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(3,4-dihydroxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enal
Also Known As: Isoamericanin A, 3-[2-(3,4-dihydroxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enal
| Molecular Formula | C18H16O6 |
|---|---|
| Molecular Weight | 328.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.0947 |
| Heavy Atoms | 24 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 69506-79-2 |
|---|---|
| SMILES | C1=CC2=C(C=C1C=CC=O)OC(C(O2)C3=CC(=C(C=C3)O)O)CO |
| InChIKey | NTXXGPYGMQQSML-UHFFFAOYSA-N |
Product Overview
Isoamericanin A (CAS 69506-79-2), with molecular formula C18H16O6 and molecular weight 328.09 g/mol. IUPAC: 3-[2-(3,4-dihydroxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enal.
Chemical Property Profile of Isoamericanin A
Property Insights of Isoamericanin A
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoamericanin A. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoamericanin A. Following Lipinski's Rule of Five, Isoamericanin A has 3 hydrogen bond donor(s) and 6 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 Isoamericanin A?
The CAS number of Isoamericanin A is 69506-79-2.
What is the molecular formula of Isoamericanin A?
The molecular formula of Isoamericanin A is C18H16O6.
What is the molecular weight of Isoamericanin A?
The molecular weight of Isoamericanin A is 328.09 g/mol.
Where can I buy Isoamericanin A?
You can request a quote for Isoamericanin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoamericanin A?
Yes, KEHONG BIO provides custom synthesis services for Isoamericanin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.