Meliatoxin B2
TL;DR: Meliatoxin B2 (CAS 87617-80-9) 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.
[19,20-diacetyloxy-6-(furan-3-yl)-11,18-dihydroxy-5,10,14-trimethyl-3,7-dioxo-16-oxapentacyclo[12.3.3.01,13.02,10.05,9]icosan-15-yl] 2-methylpropanoate
Also Known As: Meliatoxin B2, 24-Norchola-20,22-diene-4-carboxaldehyde, 2,3-bis(acetyloxy)-4,8-dimethyl-11,15-dioxo-21,23-epoxy-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,17-alpha)-, [19,20-diacetyloxy-6-(furan-3-yl)-11,18-dihydroxy-5,10,14-trimethyl-3,7-dioxo-16-oxapentacyclo[12.3.3.01,13.02,10.05,9]icosan-15-yl] 2-methylpropanoate, 2,3-Bis(acetyloxy)-17-(furan-3-yl)-1,7-dihydroxy-4,8,13-trimethyl-11,16-dioxohexadecahydro-4,10-(methanooxymethano)cyclopenta[a]phenanthren-20-yl 2-methylpropanoate, 7,8-Bis(acetyloxy)-1-(furan-3-yl)-4,9-dihydroxy-3b,6,11a-trimethyl-2,10-dioxohexadecahydro-6,9a-(methanooxymethano)cyclopenta[a]phenanthren-14-yl 2-methylpropanoate
| Molecular Formula | C34H44O12 |
|---|---|
| Molecular Weight | 644.28 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 176.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 644.28326 |
| Heavy Atoms | 46 |
| Complexity | 1330.0 |
Chemical Identifiers
| CAS Number | 87617-80-9 |
|---|---|
| SMILES | CC(C)C(=O)OC1C2(C3CC(C4(C5CC(=O)C(C5(CC(=O)C4C3(CO1)C(C(C2OC(=O)C)OC(=O)C)O)C)C6=COC=C6)C)O)C |
| InChIKey | RVDWIBIPETYACU-UHFFFAOYSA-N |
Product Overview
Meliatoxin B2 (CAS 87617-80-9), with molecular formula C34H44O12 and molecular weight 644.28 g/mol. IUPAC: [19,20-diacetyloxy-6-(furan-3-yl)-11,18-dihydroxy-5,10,14-trimethyl-3,7-dioxo-16-oxapentacyclo[12.3.3.01,13.02,10.05,9]icosan-15-yl] 2-methylpropanoate.
Chemical Property Profile of Meliatoxin B2
Property Insights of Meliatoxin B2
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Meliatoxin B2. The TPSA of 176.0 Ų indicates high polarity, suggesting Meliatoxin B2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Meliatoxin B2 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 B2?
The CAS number of Meliatoxin B2 is 87617-80-9.
What is the molecular formula of Meliatoxin B2?
The molecular formula of Meliatoxin B2 is C34H44O12.
What is the molecular weight of Meliatoxin B2?
The molecular weight of Meliatoxin B2 is 644.28 g/mol.
Where can I buy Meliatoxin B2?
You can request a quote for Meliatoxin B2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Meliatoxin B2?
Yes, KEHONG BIO provides custom synthesis services for Meliatoxin B2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.