Bufotoxin
TL;DR: Bufotoxin (CAS 464-81-3) is a chemical compound with molecular formula C40H60N4O10 and molecular weight 756.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[8-[[(3S,5R,10S,13R,14S,16S,17R)-16-acetyloxy-14-hydroxy-10,13-dimethyl-17-(2-oxopyran-4-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-8-oxooctanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Also Known As: Bufotoxin, 2-[[8-[[(3S,5R,10S,13R,14S,16S,17R)-16-acetyloxy-14-hydroxy-10,13-dimethyl-17-(2-oxopyran-4-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-8-oxooctanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid, N~2~-(8-{[(8xi,9xi)-16beta-(Acetyloxy)-14-hydroxy-17beta-(2-oxo-2H-pyran-4-yl)-5beta,14beta-androstan-3beta-yl]oxy}-1-hydroxy-8-oxooctylidene)arginine, N~2~-(8-{[16-(Acetyloxy)-14-hydroxy-17-(2-oxo-2H-pyran-4-yl)androstan-3-yl]oxy}-1-hydroxy-8-oxooctylidene)arginine
| Molecular Formula | C40H60N4O10 |
|---|---|
| Molecular Weight | 756.43 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 230.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 18 |
| Exact Mass | 756.43097 |
| Heavy Atoms | 54 |
| Complexity | 1530.0 |
Chemical Identifiers
| CAS Number | 464-81-3 |
|---|---|
| SMILES | CC(=O)O[C@H]1C[C@@]2(C3CC[C@@H]4C[C@H](CC[C@@]4(C3CC[C@@]2([C@H]1C5=CC(=O)OC=C5)C)C)OC(=O)CCCCCCC(=O)NC(CCCN=C(N)N)C(=O)O)O |
| InChIKey | IHGHEVRUMFTXHS-UQBAYTCGSA-N |
Product Overview
Bufotoxin (CAS 464-81-3), with molecular formula C40H60N4O10 and molecular weight 756.43 g/mol. IUPAC: 2-[[8-[[(3S,5R,10S,13R,14S,16S,17R)-16-acetyloxy-14-hydroxy-10,13-dimethyl-17-(2-oxopyran-4-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-8-oxooctanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid.
Chemical Property Profile of Bufotoxin
Property Insights of Bufotoxin
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bufotoxin. The TPSA of 230.0 Ų indicates high polarity, suggesting Bufotoxin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bufotoxin has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bufotoxin?
The CAS number of Bufotoxin is 464-81-3.
What is the molecular formula of Bufotoxin?
The molecular formula of Bufotoxin is C40H60N4O10.
What is the molecular weight of Bufotoxin?
The molecular weight of Bufotoxin is 756.43 g/mol.
Where can I buy Bufotoxin?
You can request a quote for Bufotoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bufotoxin?
Yes, KEHONG BIO provides custom synthesis services for Bufotoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.