Isometachromin
TL;DR: Isometachromin (CAS 145401-37-2) is a chemical compound with molecular formula C22H30O4 and molecular weight 358.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-5-methoxy-3-[(E)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-2-enyl]cyclohexa-2,5-diene-1,4-dione
Also Known As: Isometachromin, 2-hydroxy-5-methoxy-3-[(E)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-2-enyl]cyclohexa-2,5-diene-1,4-dione, (E)-(-)-2-Hydroxy-5-methoxy-3-(3-methyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-pentenyl)-2,5-cyclohexadiene-1,4-dione, 2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-5-methoxy-3-(3-methyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-pentenyl)-, (E)-(-)-, 2-hydroxy-5-methoxy-3-((E)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-2-enyl)cyclohexa-2,5-diene-1,4-dione
| Molecular Formula | C22H30O4 |
|---|---|
| Molecular Weight | 358.21 g/mol |
| LogP | 4.9797 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.21442 |
| Heavy Atoms | 26 |
| Complexity | 716.42426 |
Chemical Identifiers
| CAS Number | 145401-37-2 |
|---|---|
| SMILES | CC1=CCCC(C1CC/C(=C/CC2=C(C(=O)C=C(C2=O)OC)O)/C)(C)C |
Product Overview
Isometachromin (CAS 145401-37-2), with molecular formula C22H30O4 and molecular weight 358.21 g/mol. IUPAC: 2-hydroxy-5-methoxy-3-[(E)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-2-enyl]cyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of Isometachromin
Property Insights of Isometachromin
The XLogP value of 4.9797 indicates that Isometachromin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Isometachromin. Following Lipinski's Rule of Five, Isometachromin has 1 hydrogen bond donor(s) and 4 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 Isometachromin?
The CAS number of Isometachromin is 145401-37-2.
What is the molecular formula of Isometachromin?
The molecular formula of Isometachromin is C22H30O4.
What is the molecular weight of Isometachromin?
The molecular weight of Isometachromin is 358.21 g/mol.
Where can I buy Isometachromin?
You can request a quote for Isometachromin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isometachromin?
Yes, KEHONG BIO provides custom synthesis services for Isometachromin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.