BE 52440A
TL;DR: BE 52440A (CAS 195051-22-0) is a chemical compound with molecular formula C34H34O14S and molecular weight 698.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4a-[[9,10a-dihydroxy-3-(2-methoxy-2-oxoethyl)-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-4a-yl]sulfanyl]-9,10a-dihydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetate
Also Known As: BE 52440A, BE-52440A, Methyl 2-[4a-[[9,10a-dihydroxy-3-(2-methoxy-2-oxoethyl)-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-4a-yl]sulfanyl]-9,10a-dihydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetate
| Molecular Formula | C34H34O14S |
|---|---|
| Molecular Weight | 698.17 g/mol |
| LogP | 1.71 |
| Topological Polar Surface Area | 220.26 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 6 |
| Exact Mass | 698.16693 |
| Heavy Atoms | 49 |
| Complexity | 1693.8779 |
Chemical Identifiers
| CAS Number | 195051-22-0 |
|---|---|
| SMILES | CC1C2(C(=O)C3=C(C=CC=C3O)C(=O)C2(CC(O1)CC(=O)OC)SC45CC(OC(C4(C(=O)C6=C(C5=O)C=CC=C6O)O)C)CC(=O)OC)O |
Product Overview
BE 52440A (CAS 195051-22-0), with molecular formula C34H34O14S and molecular weight 698.17 g/mol. IUPAC: methyl 2-[4a-[[9,10a-dihydroxy-3-(2-methoxy-2-oxoethyl)-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-4a-yl]sulfanyl]-9,10a-dihydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetate.
Chemical Property Profile of BE 52440A
Property Insights of BE 52440A
The XLogP value of 1.71 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BE 52440A. The TPSA of 220.26 Ų indicates high polarity, suggesting BE 52440A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BE 52440A has 4 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BE 52440A?
The CAS number of BE 52440A is 195051-22-0.
What is the molecular formula of BE 52440A?
The molecular formula of BE 52440A is C34H34O14S.
What is the molecular weight of BE 52440A?
The molecular weight of BE 52440A is 698.17 g/mol.
Where can I buy BE 52440A?
You can request a quote for BE 52440A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BE 52440A?
Yes, KEHONG BIO provides custom synthesis services for BE 52440A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.