Isomacarangin
TL;DR: Isomacarangin (CAS 229470-28-4) is a chemical compound with molecular formula C25H26O6 and molecular weight 422.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2Z)-3,7-dimethylocta-2,6-dienyl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Also Known As: Isomacarangin, 8-[(2Z)-3,7-dimethylocta-2,6-dienyl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one, 8-((2Z)-3,7-dimethylocta-2,6-dienyl)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one, RefChem:149508
| Molecular Formula | C25H26O6 |
|---|---|
| Molecular Weight | 422.17 g/mol |
| LogP | 5.5176 |
| Topological Polar Surface Area | 111.13 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.17294 |
| Heavy Atoms | 31 |
| Complexity | 1225.8324 |
Chemical Identifiers
| CAS Number | 229470-28-4 |
|---|---|
| SMILES | CC(=CCC/C(=C\CC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)O)/C)C |
Product Overview
Isomacarangin (CAS 229470-28-4), with molecular formula C25H26O6 and molecular weight 422.17 g/mol. IUPAC: 8-[(2Z)-3,7-dimethylocta-2,6-dienyl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one.
Chemical Property Profile of Isomacarangin
Property Insights of Isomacarangin
The XLogP value of 5.5176 indicates that Isomacarangin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Isomacarangin. Following Lipinski's Rule of Five, Isomacarangin has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isomacarangin?
The CAS number of Isomacarangin is 229470-28-4.
What is the molecular formula of Isomacarangin?
The molecular formula of Isomacarangin is C25H26O6.
What is the molecular weight of Isomacarangin?
The molecular weight of Isomacarangin is 422.17 g/mol.
Where can I buy Isomacarangin?
You can request a quote for Isomacarangin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isomacarangin?
Yes, KEHONG BIO provides custom synthesis services for Isomacarangin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.