Lyngbyatoxin B
TL;DR: Lyngbyatoxin B (CAS 133084-52-3) 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.
5-(6-hydroxy-3,7-dimethylocta-1,7-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 B, 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 9-(1-ethenyl-4-hydroxy-1,5-dimethyl-5-hexenyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-, 5-(6-hydroxy-3,7-dimethylocta-1,7-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, 5-(6-hydroxy-3,7-dimethylocta-1,7-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, 9-(1-Ethenyl-4-hydroxy-1,5-dimethyl-5-hexenyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-3H-pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one
| Molecular Formula | C27H39N3O3 |
|---|---|
| Molecular Weight | 453.30 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 88.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 453.29913 |
| Heavy Atoms | 33 |
| Complexity | 725.0 |
Chemical Identifiers
| CAS Number | 133084-52-3 |
|---|---|
| SMILES | CC(C)C1C(=O)NC(CC2=CNC3=C(C=CC(=C23)N1C)C(C)(CCC(C(=C)C)O)C=C)CO |
| InChIKey | RLQWNZUFDRUTMZ-UHFFFAOYSA-N |
Product Overview
Lyngbyatoxin B (CAS 133084-52-3), with molecular formula C27H39N3O3 and molecular weight 453.30 g/mol. IUPAC: 5-(6-hydroxy-3,7-dimethylocta-1,7-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 B
Property Insights of Lyngbyatoxin B
The XLogP value of 5.0 indicates that Lyngbyatoxin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Lyngbyatoxin B. Following Lipinski's Rule of Five, Lyngbyatoxin B 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 B?
The CAS number of Lyngbyatoxin B is 133084-52-3.
What is the molecular formula of Lyngbyatoxin B?
The molecular formula of Lyngbyatoxin B is C27H39N3O3.
What is the molecular weight of Lyngbyatoxin B?
The molecular weight of Lyngbyatoxin B is 453.30 g/mol.
Where can I buy Lyngbyatoxin B?
You can request a quote for Lyngbyatoxin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lyngbyatoxin B?
Yes, KEHONG BIO provides custom synthesis services for Lyngbyatoxin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.