Meliatoxin A2
TL;DR: Meliatoxin A2 (CAS 87617-82-1) is a chemical compound with molecular formula C34H44O12 and molecular weight 644.28 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-methylpropanoate
Also Known As: Meliatoxin A2, 24-Norchola-20,22-diene-4-carboxaldehyde, 2,3-bis(acetyloxy)-14,15:21,23-diepoxy-4,8-dimethyl-11-oxo-1,7,19-trihydroxy-, cyclic 4,19-(2-methyl-1-oxopropylacetal), (1-alpha,2-alpha,3-alpha,4-beta(S),5-alpha,7-alpha,13-alpha,14-beta,15-beta,17-alpha)-, [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-methylpropanoate, 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-methylpropanoate
| Molecular Formula | C34H44O12 |
|---|---|
| Molecular Weight | 644.28 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 644.28326 |
| Heavy Atoms | 46 |
| Complexity | 1350.0 |
Chemical Identifiers
| CAS Number | 87617-82-1 |
|---|---|
| SMILES | CC(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 | RYOHUDAYJZTZOF-UHFFFAOYSA-N |
Product Overview
Meliatoxin A2 (CAS 87617-82-1), with molecular formula C34H44O12 and molecular weight 644.28 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-methylpropanoate.
Chemical Property Profile of Meliatoxin A2
Property Insights of Meliatoxin A2
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Meliatoxin A2. The TPSA of 171.0 Ų indicates high polarity, suggesting Meliatoxin A2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Meliatoxin A2 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 A2?
The CAS number of Meliatoxin A2 is 87617-82-1.
What is the molecular formula of Meliatoxin A2?
The molecular formula of Meliatoxin A2 is C34H44O12.
What is the molecular weight of Meliatoxin A2?
The molecular weight of Meliatoxin A2 is 644.28 g/mol.
Where can I buy Meliatoxin A2?
You can request a quote for Meliatoxin A2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Meliatoxin A2?
Yes, KEHONG BIO provides custom synthesis services for Meliatoxin A2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.