Isoiguesterin
TL;DR: Isoiguesterin (CAS 79726-65-1) is a chemical compound with molecular formula C28H36O2 and molecular weight 404.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-4,6a,6b,8a,14a-pentamethyl-11-methylidene-7,8,9,10,12,12a,13,14-octahydropicen-2-one
Also Known As: Isoiguesterin, Calcium specific chelator, 24,25,26,30-Tetranoroleana-1(10),3,5,7,20(29)-pentaen-2-one,3-hydroxy-9,13-dimethyl-, (9beta,13alpha,14beta)-, 3-hydroxy-4,6a,6b,8a,14a-pentamethyl-11-methylidene-7,8,9,10,12,12a,13,14-octahydropicen-2-one, 3-hydroxy-4,6b,8a,12b,14a-pentamethyl-11-methylidene-7,8,8a,9,10,11,12,12a,12b,13,14,14a-dodecahydropicen-2(6bH)-one
| Molecular Formula | C28H36O2 |
|---|---|
| Molecular Weight | 404.27 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 404.27155 |
| Heavy Atoms | 30 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 79726-65-1 |
|---|---|
| SMILES | CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(=C)CC5)C)C)C)C)O |
| InChIKey | RUVGAOXZLPFVKY-UHFFFAOYSA-N |
Product Overview
Isoiguesterin (CAS 79726-65-1), with molecular formula C28H36O2 and molecular weight 404.27 g/mol. IUPAC: 3-hydroxy-4,6a,6b,8a,14a-pentamethyl-11-methylidene-7,8,9,10,12,12a,13,14-octahydropicen-2-one.
Chemical Property Profile of Isoiguesterin
Property Insights of Isoiguesterin
The XLogP value of 6.3 indicates that Isoiguesterin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Isoiguesterin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoiguesterin has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isoiguesterin?
The CAS number of Isoiguesterin is 79726-65-1.
What is the molecular formula of Isoiguesterin?
The molecular formula of Isoiguesterin is C28H36O2.
What is the molecular weight of Isoiguesterin?
The molecular weight of Isoiguesterin is 404.27 g/mol.
Where can I buy Isoiguesterin?
You can request a quote for Isoiguesterin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoiguesterin?
Yes, KEHONG BIO provides custom synthesis services for Isoiguesterin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.