Bryotoxin A
TL;DR: Bryotoxin A (CAS 101329-50-4) is a chemical compound with molecular formula C32H42O12 and molecular weight 618.26764 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[[10-formyl-5,11,14-trihydroxy-13-methyl-12-oxo-17-(6-oxopyran-3-yl)-1,2,3,4,6,7,8,9,11,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-6-methyloxan-4-yl] acetate
Also Known As: Bryotoxin A, [2-[[10-formyl-5,11,14-trihydroxy-13-methyl-12-oxo-17-(6-oxopyran-3-yl)-1,2,3,4,6,7,8,9,11,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-6-methyloxan-4-yl] acetate, Bufa-20,22-dienolide, 3-((3-O-acetyl-4,6-dideoxy-beta-D-arabino-hexopyranosyl)oxy)-5,11,14-trihydroxy-12,19-dioxo-, (3beta,5beta,11alpha)-
Technical Specifications
| Molecular Formula | C32H42O12 |
| Molecular Weight | 618.26764 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 186.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 618.26764 Da |
| Heavy Atoms | 44 |
| Complexity | 1290.0 |
| SMILES | CC1CC(C(C(O1)OC2CCC3(C4C(CCC3(C2)O)C5(CCC(C5(C(=O)C4O)C)C6=COC(=O)C=C6)O)C=O)O)OC(=O)C |
| InChIKey | KWKQJZASURFCDP-UHFFFAOYSA-N |
Chemical Property Profile of Bryotoxin A
Property Insights of Bryotoxin A
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bryotoxin A. The TPSA of 186.0 Ų indicates high polarity, suggesting Bryotoxin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bryotoxin A has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Bryotoxin A?
The CAS number of Bryotoxin A is 101329-50-4.
What is the molecular formula of Bryotoxin A?
The molecular formula of Bryotoxin A is C32H42O12.
What is the molecular weight of Bryotoxin A?
The molecular weight of Bryotoxin A is 618.26764 g/mol.
Where can I buy Bryotoxin A?
You can request a quote for Bryotoxin A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bryotoxin A?
Yes, CoreyChem provides custom synthesis services for Bryotoxin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.