Isomorellic acid
TL;DR: Isomorellic acid (CAS 5304-71-2) is a chemical compound with molecular formula C33H36O8 and molecular weight 560.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-4-[12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid
Also Known As: Isomorellic acid, Morellic acid, (Z)-4-[12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid, (2Z)-4-[12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0^{2,15}.0^{2,19}.0^{4,13}.0^{6,11}]docosa-4,6(11),9,12,15-pentaen-19-yl]-2-methylbut-2-enoic acid
| Molecular Formula | C33H36O8 |
|---|---|
| Molecular Weight | 560.24 g/mol |
| LogP | 5.5128 |
| Topological Polar Surface Area | 119.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 560.241 |
| Heavy Atoms | 41 |
| Complexity | 1563.5647 |
Chemical Identifiers
| CAS Number | 5304-71-2 |
|---|---|
| SMILES | CC(=CCC1=C2C(=C(C3=C1OC45C6CC(C=C4C3=O)C(=O)C5(OC6(C)C)C/C=C(/C)\C(=O)O)O)C=CC(O2)(C)C)C |
Product Overview
Isomorellic acid (CAS 5304-71-2), with molecular formula C33H36O8 and molecular weight 560.24 g/mol. IUPAC: (Z)-4-[12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid.
Chemical Property Profile of Isomorellic acid
Property Insights of Isomorellic acid
The XLogP value of 5.5128 indicates that Isomorellic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Isomorellic acid. Following Lipinski's Rule of Five, Isomorellic acid 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 Isomorellic acid?
The CAS number of Isomorellic acid is 5304-71-2.
What is the molecular formula of Isomorellic acid?
The molecular formula of Isomorellic acid is C33H36O8.
What is the molecular weight of Isomorellic acid?
The molecular weight of Isomorellic acid is 560.24 g/mol.
Where can I buy Isomorellic acid?
You can request a quote for Isomorellic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isomorellic acid?
Yes, KEHONG BIO provides custom synthesis services for Isomorellic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.