Isomorellinol
TL;DR: Isomorellinol (CAS 149655-53-8) is a chemical compound with molecular formula C33H38O7 and molecular weight 546.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-hydroxy-19-(4-hydroxy-3-methylbut-2-enyl)-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaene-14,18-dione
Also Known As: Isomorellinol, 12-Hydroxy-19-(4-hydroxy-3-methylbut-2-enyl)-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaene-14,18-dione
| Molecular Formula | C33H38O7 |
|---|---|
| Molecular Weight | 546.26 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 546.2618 |
| Heavy Atoms | 40 |
| Complexity | 1250.0 |
Chemical Identifiers
| CAS Number | 149655-53-8 |
|---|---|
| SMILES | CC(=CCC1=C2C(=C(C3=C1OC45C6CC(C=C4C3=O)C(=O)C5(OC6(C)C)CC=C(C)CO)O)C=CC(O2)(C)C)C |
| InChIKey | UWZMGTSPGQXAAP-UHFFFAOYSA-N |
Product Overview
Isomorellinol (CAS 149655-53-8), with molecular formula C33H38O7 and molecular weight 546.26 g/mol. IUPAC: 12-hydroxy-19-(4-hydroxy-3-methylbut-2-enyl)-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaene-14,18-dione.
Chemical Property Profile of Isomorellinol
Property Insights of Isomorellinol
The XLogP value of 5.4 indicates that Isomorellinol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isomorellinol. Following Lipinski's Rule of Five, Isomorellinol has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isomorellinol?
The CAS number of Isomorellinol is 149655-53-8.
What is the molecular formula of Isomorellinol?
The molecular formula of Isomorellinol is C33H38O7.
What is the molecular weight of Isomorellinol?
The molecular weight of Isomorellinol is 546.26 g/mol.
Where can I buy Isomorellinol?
You can request a quote for Isomorellinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isomorellinol?
Yes, KEHONG BIO provides custom synthesis services for Isomorellinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.