Lyngbyatoxin C
TL;DR: Lyngbyatoxin C (CAS 133084-53-4) is a chemical compound with molecular formula C27H39N3O3 and molecular weight 453.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10S,13S)-5-[(3R,5E)-7-hydroxy-3,7-dimethylocta-1,5-dien-3-yl]-13-(hydroxymethyl)-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one
Also Known As: Lyngbyatoxin C, (10S,13S)-5-[(3R,5E)-7-hydroxy-3,7-dimethylocta-1,5-dien-3-yl]-13-(hydroxymethyl)-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one, 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 9-(1-ethenyl-5-hydroxy-1,5-dimethyl-3-hexenyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-, (2S-(2R*,5R*,9(S*)))-, (10S,13S)-5-((3R,5E)-7-hydroxy-3,7-dimethylocta-1,5-dien-3-yl)-13-(hydroxymethyl)-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo(6.6.1.04,15)pentadeca-1,4,6,8(15)-tetraen-11-one, (10S,13S)-5-[(3R)-7-hydroxy-3,7-dimethylocta-1,5-dien-3-yl]-13-(hydroxymethyl)-9-methyl-10-(propan-2-yl)-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one
| Molecular Formula | C27H39N3O3 |
|---|---|
| Molecular Weight | 453.30 g/mol |
| LogP | 3.8228 |
| Topological Polar Surface Area | 88.59 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 453.29913 |
| Heavy Atoms | 33 |
| Complexity | 1046.7942 |
Chemical Identifiers
| CAS Number | 133084-53-4 |
|---|---|
| SMILES | CC(C)[C@H]1C(=O)N[C@@H](CC2=CNC3=C(C=CC(=C23)N1C)[C@](C)(C/C=C/C(C)(C)O)C=C)CO |
Product Overview
Lyngbyatoxin C (CAS 133084-53-4), with molecular formula C27H39N3O3 and molecular weight 453.30 g/mol. IUPAC: (10S,13S)-5-[(3R,5E)-7-hydroxy-3,7-dimethylocta-1,5-dien-3-yl]-13-(hydroxymethyl)-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one.
Chemical Property Profile of Lyngbyatoxin C
Property Insights of Lyngbyatoxin C
The XLogP value of 3.8228 indicates that Lyngbyatoxin C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.59 Ų falls within the moderate polarity range, balancing permeability and solubility for Lyngbyatoxin C. Following Lipinski's Rule of Five, Lyngbyatoxin C has 4 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 Lyngbyatoxin C?
The CAS number of Lyngbyatoxin C is 133084-53-4.
What is the molecular formula of Lyngbyatoxin C?
The molecular formula of Lyngbyatoxin C is C27H39N3O3.
What is the molecular weight of Lyngbyatoxin C?
The molecular weight of Lyngbyatoxin C is 453.30 g/mol.
Where can I buy Lyngbyatoxin C?
You can request a quote for Lyngbyatoxin C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lyngbyatoxin C?
Yes, KEHONG BIO provides custom synthesis services for Lyngbyatoxin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.