ES-242-3
TL;DR: ES-242-3 (CAS 136565-68-9) is a chemical compound with molecular formula C34H36O11 and molecular weight 620.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(4,10-dihydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl)-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-4-yl] acetate
Also Known As: ES-242-3, [5-(4,10-dihydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl)-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-4-yl] acetate, (3S,4S)-5-((3S,4R)-4,10-Dihydroxy-7,9-dimethoxy-3-methyl-1H,3H,4H-naphtho(2,3-c)pyran-5-yl)-10-hydroxy-7,9-dimethoxy-3-methyl-1H,3H,4H-naphtho(2,3-c)pyran-4-yl acetic acid, (3S,4S)-5-[(3S,4R)-4,10-Dihydroxy-7,9-dimethoxy-3-methyl-1H,3H,4H-naphtho[2,3-c]pyran-5-yl]-10-hydroxy-7,9-dimethoxy-3-methyl-1H,3H,4H-naphtho[2,3-c]pyran-4-yl acetic acid, (5-(4,10-dihydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo(g)isochromen-5-yl)-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo(g)isochromen-4-yl) acetate
| Molecular Formula | C34H36O11 |
|---|---|
| Molecular Weight | 620.23 g/mol |
| LogP | 5.5806 |
| Topological Polar Surface Area | 142.37 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 620.22577 |
| Heavy Atoms | 45 |
| Complexity | 1846.983 |
Chemical Identifiers
| CAS Number | 136565-68-9 |
|---|---|
| SMILES | CC1C(C2=C(C3=C(C(=CC(=C3)OC)OC)C(=C2CO1)O)C4=C5C(C(OCC5=C(C6=C4C=C(C=C6OC)OC)O)C)OC(=O)C)O |
Product Overview
ES-242-3 (CAS 136565-68-9), with molecular formula C34H36O11 and molecular weight 620.23 g/mol. IUPAC: [5-(4,10-dihydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl)-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-4-yl] acetate.
Chemical Property Profile of ES-242-3
Property Insights of ES-242-3
The XLogP value of 5.5806 indicates that ES-242-3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.37 Ų indicates high polarity, suggesting ES-242-3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ES-242-3 has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ES-242-3?
The CAS number of ES-242-3 is 136565-68-9.
What is the molecular formula of ES-242-3?
The molecular formula of ES-242-3 is C34H36O11.
What is the molecular weight of ES-242-3?
The molecular weight of ES-242-3 is 620.23 g/mol.
Where can I buy ES-242-3?
You can request a quote for ES-242-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ES-242-3?
Yes, KEHONG BIO provides custom synthesis services for ES-242-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.