Chaetoglobosin B diacetate
TL;DR: Chaetoglobosin B diacetate (CAS 50416-39-2) is a chemical compound with molecular formula C36H40N2O7 and molecular weight 612.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3E,6R,7Z,9S,11E,13R,14S,17R,18S)-6-acetyloxy-18-(1H-indol-3-ylmethyl)-7,9,15,16-tetramethyl-2,5,20-trioxo-19-azatricyclo[11.7.0.01,17]icosa-3,7,11,15-tetraen-14-yl] acetate
Also Known As: Chaetoglobosin B diacetate, 2-(Hydroxymethylene)-6-(isopropyl)-3-methylcyclohexan-1-one, (13)Cytochalasa-5,13,17,21-tetraene-1,20,23-trione, 7,19-bis(acetyloxy)-10-(1H-indol-3-yl)-16,18-dimethyl-, (7S,13E,16S,17E,19R,21E)-, (7S,13E,16S,17E,19R,21E)-7,19-Bis(acetyloxy)-10-(1H-indol-3-yl)-16,18-dimethyl-(13)cytochalasa-5,13,17,21-tetraene-1,20,23-trione, [13]Cytochalasa-5,13,17,21-tetraene-1,20,23-trione, 7,19-bis(acetyloxy)-10-(1H-indol-3-yl)-16,18-dimethyl-
| Molecular Formula | C36H40N2O7 |
|---|---|
| Molecular Weight | 612.28 g/mol |
| LogP | 4.8777 |
| Topological Polar Surface Area | 131.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 612.28357 |
| Heavy Atoms | 45 |
| Complexity | 1691.3364 |
Chemical Identifiers
| CAS Number | 50416-39-2 |
|---|---|
| SMILES | C[C@H]/1C/C=C/[C@H]2[C@@H](C(=C([C@@H]3C2(C(=O)/C=C/C(=O)[C@@H](/C(=C1)/C)OC(=O)C)C(=O)N[C@H]3CC4=CNC5=CC=CC=C54)C)C)OC(=O)C |
Product Overview
Chaetoglobosin B diacetate (CAS 50416-39-2), with molecular formula C36H40N2O7 and molecular weight 612.28 g/mol. IUPAC: [(3E,6R,7Z,9S,11E,13R,14S,17R,18S)-6-acetyloxy-18-(1H-indol-3-ylmethyl)-7,9,15,16-tetramethyl-2,5,20-trioxo-19-azatricyclo[11.7.0.01,17]icosa-3,7,11,15-tetraen-14-yl] acetate.
Chemical Property Profile of Chaetoglobosin B diacetate
Property Insights of Chaetoglobosin B diacetate
The XLogP value of 4.8777 indicates that Chaetoglobosin B diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Chaetoglobosin B diacetate. Following Lipinski's Rule of Five, Chaetoglobosin B diacetate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chaetoglobosin B diacetate?
The CAS number of Chaetoglobosin B diacetate is 50416-39-2.
What is the molecular formula of Chaetoglobosin B diacetate?
The molecular formula of Chaetoglobosin B diacetate is C36H40N2O7.
What is the molecular weight of Chaetoglobosin B diacetate?
The molecular weight of Chaetoglobosin B diacetate is 612.28 g/mol.
Where can I buy Chaetoglobosin B diacetate?
You can request a quote for Chaetoglobosin B diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chaetoglobosin B diacetate?
Yes, KEHONG BIO provides custom synthesis services for Chaetoglobosin B diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.