Ascochalasin
TL;DR: Ascochalasin (CAS 116095-60-4) is a chemical compound with molecular formula C29H39NO4 and molecular weight 465.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,9R,11E,13R,14S,16S,17R,18S)-18-benzyl-5,14-dihydroxy-9,16-dimethyl-15-methylidene-19-azatricyclo[11.7.0.01,17]icos-11-ene-2,20-dione
Also Known As: Ascochalasin, (5R,9R,11E,13R,14S,16S,17R,18S)-18-benzyl-5,14-dihydroxy-9,16-dimethyl-15-methylidene-19-azatricyclo(11.7.0.01,17)icos-11-ene-2,20-dione, (5R,9R,11E,13R,14S,16S,17R,18S)-18-benzyl-5,14-dihydroxy-9,16-dimethyl-15-methylidene-19-azatricyclo[11.7.0.01,17]icos-11-ene-2,20-dione, RefChem:114454
| Molecular Formula | C29H39NO4 |
|---|---|
| Molecular Weight | 465.29 g/mol |
| LogP | 3.9896 |
| Topological Polar Surface Area | 86.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 465.2879 |
| Heavy Atoms | 34 |
| Complexity | 940.7088 |
Chemical Identifiers
| CAS Number | 116095-60-4 |
|---|---|
| SMILES | C[C@@H]1CCC[C@H](CCC(=O)C23[C@@H](/C=C/C1)[C@@H](C(=C)[C@H]([C@H]2[C@@H](NC3=O)CC4=CC=CC=C4)C)O)O |
Product Overview
Ascochalasin (CAS 116095-60-4), with molecular formula C29H39NO4 and molecular weight 465.29 g/mol. IUPAC: (5R,9R,11E,13R,14S,16S,17R,18S)-18-benzyl-5,14-dihydroxy-9,16-dimethyl-15-methylidene-19-azatricyclo[11.7.0.01,17]icos-11-ene-2,20-dione.
Chemical Property Profile of Ascochalasin
Property Insights of Ascochalasin
The XLogP value of 3.9896 indicates that Ascochalasin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Ascochalasin. Following Lipinski's Rule of Five, Ascochalasin has 3 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 Ascochalasin?
The CAS number of Ascochalasin is 116095-60-4.
What is the molecular formula of Ascochalasin?
The molecular formula of Ascochalasin is C29H39NO4.
What is the molecular weight of Ascochalasin?
The molecular weight of Ascochalasin is 465.29 g/mol.
Where can I buy Ascochalasin?
You can request a quote for Ascochalasin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ascochalasin?
Yes, KEHONG BIO provides custom synthesis services for Ascochalasin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.