Meliatoxin A1
TL;DR: Meliatoxin A1 (CAS 87725-70-0) is a chemical compound with molecular formula C35H46O12 and molecular weight 658.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[20,21-diacetyloxy-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl] 2-methylbutanoate
Also Known As: Meliatoxin A1, [20,21-diacetyloxy-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl] 2-methylbutanoate, 2,3-Bis(acetyloxy)-9-(furan-3-yl)-1,6-dihydroxy-4,6a,9a-trimethyl-11-oxotetradecahydro-1H-4,11b-(methanooxymethano)naphtho(1',2':6,7)indeno(1,7a-b)oxiren-14-yl 2-methylbutanoate, 2,3-Bis(acetyloxy)-9-(furan-3-yl)-1,6-dihydroxy-4,6a,9a-trimethyl-11-oxotetradecahydro-1H-4,11b-(methanooxymethano)naphtho[1',2':6,7]indeno[1,7a-b]oxiren-14-yl 2-methylbutanoate, RefChem:1059278
| Molecular Formula | C35H46O12 |
|---|---|
| Molecular Weight | 658.30 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 658.29895 |
| Heavy Atoms | 47 |
| Complexity | 1370.0 |
Chemical Identifiers
| CAS Number | 87725-70-0 |
|---|---|
| SMILES | CCC(C)C(=O)OC1C2(C3CC(C4(C(C3(CO1)C(C(C2OC(=O)C)OC(=O)C)O)C(=O)CC5(C46C(O6)CC5C7=COC=C7)C)C)O)C |
| InChIKey | PRAMYZIXNOZDQY-UHFFFAOYSA-N |
Product Overview
Meliatoxin A1 (CAS 87725-70-0), with molecular formula C35H46O12 and molecular weight 658.30 g/mol. IUPAC: [20,21-diacetyloxy-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl] 2-methylbutanoate.
Chemical Property Profile of Meliatoxin A1
Property Insights of Meliatoxin A1
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Meliatoxin A1. The TPSA of 171.0 Ų indicates high polarity, suggesting Meliatoxin A1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Meliatoxin A1 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Meliatoxin A1?
The CAS number of Meliatoxin A1 is 87725-70-0.
What is the molecular formula of Meliatoxin A1?
The molecular formula of Meliatoxin A1 is C35H46O12.
What is the molecular weight of Meliatoxin A1?
The molecular weight of Meliatoxin A1 is 658.30 g/mol.
Where can I buy Meliatoxin A1?
You can request a quote for Meliatoxin A1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Meliatoxin A1?
Yes, KEHONG BIO provides custom synthesis services for Meliatoxin A1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.