12-epi-lyngbyatoxin A
TL;DR: 12-epi-lyngbyatoxin A (CAS 7280-87-7) is a chemical compound with molecular formula C27H39N3O2 and molecular weight 437.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10R,13S)-5-[(3R)-3,7-dimethylocta-1,6-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: 12-epi-Lyngbyatoxin A, Teleocidin A1, J3.471.563G, (2r,5s)-9-[(3r)-3,7-dimethylocta-1,6-dien-3-yl]-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3h-[1,4]diazonino[7,6,5-cd]indol-3-one, (10R,13S)-5-((3R)-3,7-dimethylocta-1,6-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 | C27H39N3O2 |
|---|---|
| Molecular Weight | 437.30 g/mol |
| LogP | 4.852 |
| Topological Polar Surface Area | 68.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 437.30423 |
| Heavy Atoms | 32 |
| Complexity | 1015.3231 |
Chemical Identifiers
| CAS Number | 7280-87-7 |
|---|---|
| SMILES | CC(C)[C@@H]1C(=O)N[C@@H](CC2=CNC3=C(C=CC(=C23)N1C)[C@](C)(CCC=C(C)C)C=C)CO |
Product Overview
12-epi-lyngbyatoxin A (CAS 7280-87-7), with molecular formula C27H39N3O2 and molecular weight 437.30 g/mol. IUPAC: (10R,13S)-5-[(3R)-3,7-dimethylocta-1,6-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 12-epi-lyngbyatoxin A
Property Insights of 12-epi-lyngbyatoxin A
The XLogP value of 4.852 indicates that 12-epi-lyngbyatoxin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-epi-lyngbyatoxin A. Following Lipinski's Rule of Five, 12-epi-lyngbyatoxin A has 3 hydrogen bond donor(s) and 3 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 12-epi-lyngbyatoxin A?
The CAS number of 12-epi-lyngbyatoxin A is 7280-87-7.
What is the molecular formula of 12-epi-lyngbyatoxin A?
The molecular formula of 12-epi-lyngbyatoxin A is C27H39N3O2.
What is the molecular weight of 12-epi-lyngbyatoxin A?
The molecular weight of 12-epi-lyngbyatoxin A is 437.30 g/mol.
Where can I buy 12-epi-lyngbyatoxin A?
You can request a quote for 12-epi-lyngbyatoxin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-epi-lyngbyatoxin A?
Yes, KEHONG BIO provides custom synthesis services for 12-epi-lyngbyatoxin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.