Arugosin C
TL;DR: Arugosin C (CAS 5454-64-8) is a chemical compound with molecular formula C25H28O6 and molecular weight 424.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,11-dihydroxy-17-(2-hydroxypropan-2-yl)-13-methyl-6-(3-methylbut-2-enyl)-2,15-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-3(8),4,6,10,12,14(18)-hexaen-9-one
Also Known As: Arugosin C, [1]Benzopyrano[4,5-bc][1]benzoxepin-7(2H)-one,1,12a-dihydro-6,8-dihydroxy-1-(1-hydroxy- 1-methylethyl)-4-methyl-9-(3-methyl-2- butenyl)-, 6,8-dihydroxy-1-(2-hydroxypropan-2-yl)-4-methyl-9-(3-methylbut-2-en-1-yl)-1,12a-dihydrochromeno[4,5-bc][1]benzoxepin-7(2h)-one, 1,12a-Dihydro-6,8-dihydroxy-1-(1-hydroxy-1-methylethyl)-4-methyl-9-(3-methylbut-2-enyl)(1)benzopy rano(4,5-bc)(1)benzoxepin-7(2H)-one, 1,12a-Dihydro-6,8-dihydroxy-1-(1-hydroxy-1-methylethyl)-4-methyl-9-(3-methyl-2-butenyl)-[1]benzopyrano[4,5-bc][1]benzoxepin-7(2H)-one
| Molecular Formula | C25H28O6 |
|---|---|
| Molecular Weight | 424.19 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 424.1886 |
| Heavy Atoms | 31 |
| Complexity | 713.0 |
Chemical Identifiers
| CAS Number | 5454-64-8 |
|---|---|
| SMILES | CC1=CC(=C2C3=C1OCC(C3OC4=C(C2=O)C(=C(C=C4)CC=C(C)C)O)C(C)(C)O)O |
| InChIKey | MYJGUMZTENHAAQ-UHFFFAOYSA-N |
Product Overview
Arugosin C (CAS 5454-64-8), with molecular formula C25H28O6 and molecular weight 424.19 g/mol. IUPAC: 7,11-dihydroxy-17-(2-hydroxypropan-2-yl)-13-methyl-6-(3-methylbut-2-enyl)-2,15-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-3(8),4,6,10,12,14(18)-hexaen-9-one.
Chemical Property Profile of Arugosin C
Property Insights of Arugosin C
The XLogP value of 5.0 indicates that Arugosin C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Arugosin C. Following Lipinski's Rule of Five, Arugosin C 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 Arugosin C?
The CAS number of Arugosin C is 5454-64-8.
What is the molecular formula of Arugosin C?
The molecular formula of Arugosin C is C25H28O6.
What is the molecular weight of Arugosin C?
The molecular weight of Arugosin C is 424.19 g/mol.
Where can I buy Arugosin C?
You can request a quote for Arugosin C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Arugosin C?
Yes, KEHONG BIO provides custom synthesis services for Arugosin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.