Aspochalasin A
TL;DR: Aspochalasin A (CAS 72363-48-5) is a chemical compound with molecular formula C24H33NO4 and molecular weight 399.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,9Z,11S,14S,15R,16S)-9,13,14-trimethyl-16-(2-methylpropyl)-17-azatricyclo[9.7.0.01,15]octadeca-9,12-diene-2,5,6,18-tetrone
Also Known As: Aspochalasin A, 1H-Cycloundec(d)isoindole-1,11,12,15(2H)-tetrone, 3,3a,4,6a,9,10,13,14-octahydro-4,5,8-trimethyl-3-(2-methylpropyl)-, (3S,3aR,4S,6aS,7E,15aS)-, RefChem:197188
| Molecular Formula | C24H33NO4 |
|---|---|
| Molecular Weight | 399.24 g/mol |
| LogP | 3.5733 |
| Topological Polar Surface Area | 80.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 399.24097 |
| Heavy Atoms | 29 |
| Complexity | 805.6983 |
Chemical Identifiers
| CAS Number | 72363-48-5 |
|---|---|
| SMILES | C[C@H]1[C@H]2[C@@H](NC(=O)[C@@]23[C@@H](/C=C(\CCC(=O)C(=O)CCC3=O)/C)C=C1C)CC(C)C |
Product Overview
Aspochalasin A (CAS 72363-48-5), with molecular formula C24H33NO4 and molecular weight 399.24 g/mol. IUPAC: (1S,9Z,11S,14S,15R,16S)-9,13,14-trimethyl-16-(2-methylpropyl)-17-azatricyclo[9.7.0.01,15]octadeca-9,12-diene-2,5,6,18-tetrone.
Chemical Property Profile of Aspochalasin A
Property Insights of Aspochalasin A
The XLogP value of 3.5733 indicates that Aspochalasin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.31 Ų falls within the moderate polarity range, balancing permeability and solubility for Aspochalasin A. Following Lipinski's Rule of Five, Aspochalasin A has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aspochalasin A?
The CAS number of Aspochalasin A is 72363-48-5.
What is the molecular formula of Aspochalasin A?
The molecular formula of Aspochalasin A is C24H33NO4.
What is the molecular weight of Aspochalasin A?
The molecular weight of Aspochalasin A is 399.24 g/mol.
Where can I buy Aspochalasin A?
You can request a quote for Aspochalasin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aspochalasin A?
Yes, KEHONG BIO provides custom synthesis services for Aspochalasin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.