(-)-BE-56980
TL;DR: (-)-BE-56980 (CAS 205448-60-8) is a chemical compound with molecular formula C46H58O20 and molecular weight 930.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10,12-dihydroxy-8-[3-hydroxy-5-(3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-6,11-dioxo-1-propyl-3-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxytetracene-2-carboxylic acid
Also Known As: (-)-BE-56980, 2-Naphthacenecarboxylic acid, 8-((6-deoxy-4-O-(6-deoxy-3,4-di-O-methylhexopyranosyl)-3-O-methylhexopyranosyl)oxy)-3-((6-deoxy-2,3,4-tri-O-methylhexopyranosyl)oxy)-6,11-dihydro-10,12-dihydroxy-6,11-dioxo-1-propyl-
| Molecular Formula | C46H58O20 |
|---|---|
| Molecular Weight | 930.35 g/mol |
| LogP | 2.8661 |
| Topological Polar Surface Area | 263.12 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 15 |
| Exact Mass | 930.3522 |
| Heavy Atoms | 66 |
| Complexity | 2299.7888 |
Chemical Identifiers
| CAS Number | 205448-60-8 |
|---|---|
| SMILES | CCCC1=C(C(=CC2=CC3=C(C(=C21)O)C(=O)C4=C(C3=O)C=C(C=C4O)OC5C(C(C(C(O5)C)OC6C(C(C(C(O6)C)OC)OC)O)OC)O)OC7C(C(C(C(O7)C)OC)OC)OC)C(=O)O |
Product Overview
(-)-BE-56980 (CAS 205448-60-8), with molecular formula C46H58O20 and molecular weight 930.35 g/mol. IUPAC: 10,12-dihydroxy-8-[3-hydroxy-5-(3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-6,11-dioxo-1-propyl-3-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxytetracene-2-carboxylic acid.
Chemical Property Profile of (-)-BE-56980
Property Insights of (-)-BE-56980
The XLogP value of 2.8661 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (-)-BE-56980. The TPSA of 263.12 Ų indicates high polarity, suggesting (-)-BE-56980 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (-)-BE-56980 has 5 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (-)-BE-56980?
The CAS number of (-)-BE-56980 is 205448-60-8.
What is the molecular formula of (-)-BE-56980?
The molecular formula of (-)-BE-56980 is C46H58O20.
What is the molecular weight of (-)-BE-56980?
The molecular weight of (-)-BE-56980 is 930.35 g/mol.
Where can I buy (-)-BE-56980?
You can request a quote for (-)-BE-56980 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (-)-BE-56980?
Yes, KEHONG BIO provides custom synthesis services for (-)-BE-56980 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.