Isoxanthochymol
TL;DR: Isoxanthochymol (CAS 52617-33-1) is a chemical compound with molecular formula C38H50O6 and molecular weight 602.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9R,11R)-7-(3,4-dihydroxybenzoyl)-4,4,10,10-tetramethyl-3,9,11-tris(3-methylbut-2-enyl)-5-oxatricyclo[7.3.1.01,6]tridec-6-ene-8,13-dione
Also Known As: Isoxanthochymol, (+)-Isoxanthochymol, (9R,11R)-7-(3,4-Dihydroxybenzoyl)-4,4,10,10-tetramethyl-3,9,11-tris(3-methylbut-2-enyl)-5-oxatricyclo[7.3.1.01,6]tridec-6-ene-8,13-dione, (6R,8R)-10-(3,4-dihydroxybenzoyl)-2,2,7,7-tetramethyl-3,6,8-tris(3-methylbut-2-en-1-yl)-3,4,5,6,7,8-hexahydro-2H,9H-4a,8-methanocycloocta[b]pyran-9,11-dione, 10-(3,4-Dihydroxybenzoyl)-2,2,7,7-tetramethyl-3,6,8-tris(3-methylbut-2-en-1-yl)-3,4,5,6,7,8-hexahydro-2H,9H-4a,8-methanocycloocta[b]pyran-9,11-dione
| Molecular Formula | C38H50O6 |
|---|---|
| Molecular Weight | 602.36 g/mol |
| LogP | 8.9 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 602.3607 |
| Heavy Atoms | 44 |
| Complexity | 1310.0 |
Chemical Identifiers
| CAS Number | 52617-33-1 |
|---|---|
| SMILES | CC(=CC[C@@H]1CC23CC(C(OC2=C(C(=O)[C@@](C3=O)(C1(C)C)CC=C(C)C)C(=O)C4=CC(=C(C=C4)O)O)(C)C)CC=C(C)C)C |
| InChIKey | KXTNVBQRLRYVCO-FENCOQSXSA-N |
Product Overview
Isoxanthochymol (CAS 52617-33-1), with molecular formula C38H50O6 and molecular weight 602.36 g/mol. IUPAC: (9R,11R)-7-(3,4-dihydroxybenzoyl)-4,4,10,10-tetramethyl-3,9,11-tris(3-methylbut-2-enyl)-5-oxatricyclo[7.3.1.01,6]tridec-6-ene-8,13-dione.
Chemical Property Profile of Isoxanthochymol
Property Insights of Isoxanthochymol
The XLogP value of 8.9 indicates that Isoxanthochymol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoxanthochymol. Following Lipinski's Rule of Five, Isoxanthochymol has 2 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 Isoxanthochymol?
The CAS number of Isoxanthochymol is 52617-33-1.
What is the molecular formula of Isoxanthochymol?
The molecular formula of Isoxanthochymol is C38H50O6.
What is the molecular weight of Isoxanthochymol?
The molecular weight of Isoxanthochymol is 602.36 g/mol.
Where can I buy Isoxanthochymol?
You can request a quote for Isoxanthochymol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoxanthochymol?
Yes, KEHONG BIO provides custom synthesis services for Isoxanthochymol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.