Aspocalasin C
TL;DR: Aspocalasin C (CAS 71968-02-0) is a chemical compound with molecular formula C24H35NO4 and molecular weight 401.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3Z,5S,6S,9Z,11S,14S,15R,16S)-5,6-dihydroxy-9,13,14-trimethyl-16-(2-methylpropyl)-17-azatricyclo[9.7.0.01,15]octadeca-3,9,12-triene-2,18-dione
Also Known As: Aspocalasin C, aspochalasin D, 1H-Cycloundec(d)isoindole-1,15(2H)-dione, 3,3a,4,6a,9,10,11,12-octahydro-11,12-dihydroxy-4,5,8-trimethyl-3-(2-methylpropyl)-, (3S,3aR,4S,6aS,7E,11S,12S,13E,15aS)-, (1S,3Z,5S,6S,9Z,11S,14S,15R,16S)-5,6-Dihydroxy-9,13,14-trimethyl-16-(2-methylpropyl)-17-azatricyclo[9.7.0.01,15]octadeca-3,9,12-triene-2,18-dione, 1H-Cycloundec(d)isoindole-1,15(2H)-dione, 3,3a,4,6a,9,10,11,12-octahydro-11,12-dihydroxy-4,5,8-trimethyl-3-(2-methylpropyl)-, (3S,3aR,4S,6aS,7E,11R,12S,13E,15aS)-
| Molecular Formula | C24H35NO4 |
|---|---|
| Molecular Weight | 401.26 g/mol |
| LogP | 2.9329 |
| Topological Polar Surface Area | 86.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 401.25662 |
| Heavy Atoms | 29 |
| Complexity | 764.84235 |
Chemical Identifiers
| CAS Number | 71968-02-0 |
|---|---|
| SMILES | C[C@H]1[C@H]2[C@@H](NC(=O)[C@@]23[C@@H](/C=C(\CC[C@@H]([C@H](/C=C\C3=O)O)O)/C)C=C1C)CC(C)C |
Product Overview
Aspocalasin C (CAS 71968-02-0), with molecular formula C24H35NO4 and molecular weight 401.26 g/mol. IUPAC: (1S,3Z,5S,6S,9Z,11S,14S,15R,16S)-5,6-dihydroxy-9,13,14-trimethyl-16-(2-methylpropyl)-17-azatricyclo[9.7.0.01,15]octadeca-3,9,12-triene-2,18-dione.
Chemical Property Profile of Aspocalasin C
Property Insights of Aspocalasin C
The XLogP value of 2.9329 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aspocalasin C. The TPSA of 86.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Aspocalasin C. Following Lipinski's Rule of Five, Aspocalasin C 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 Aspocalasin C?
The CAS number of Aspocalasin C is 71968-02-0.
What is the molecular formula of Aspocalasin C?
The molecular formula of Aspocalasin C is C24H35NO4.
What is the molecular weight of Aspocalasin C?
The molecular weight of Aspocalasin C is 401.26 g/mol.
Where can I buy Aspocalasin C?
You can request a quote for Aspocalasin C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aspocalasin C?
Yes, KEHONG BIO provides custom synthesis services for Aspocalasin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.