Bufalitoxin
TL;DR: Bufalitoxin (CAS 35455-33-5) is a chemical compound with molecular formula C38H58N4O8 and molecular weight 698.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-5-(diaminomethylideneamino)-2-[[8-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-8-oxooctanoyl]amino]pentanoic acid
Also Known As: Bufalitoxin, Bufalin 3-suberylarginate, bufalin-3-suberoyl-L-arginine, 3-(N-suberoyl argininyl)bufalin, KST-1A4262
| Molecular Formula | C38H58N4O8 |
|---|---|
| Molecular Weight | 698.43 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 204.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 16 |
| Exact Mass | 698.4255 |
| Heavy Atoms | 50 |
| Complexity | 1380.0 |
Chemical Identifiers
| CAS Number | 35455-33-5 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)OC(=O)CCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)O |
| InChIKey | DIWIHIOEFFEDHN-BOLOFZJXSA-N |
Product Overview
Bufalitoxin (CAS 35455-33-5), with molecular formula C38H58N4O8 and molecular weight 698.43 g/mol. IUPAC: (2S)-5-(diaminomethylideneamino)-2-[[8-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-8-oxooctanoyl]amino]pentanoic acid.
Chemical Property Profile of Bufalitoxin
Property Insights of Bufalitoxin
The XLogP value of 4.1 indicates that Bufalitoxin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 204.0 Ų indicates high polarity, suggesting Bufalitoxin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bufalitoxin has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bufalitoxin?
The CAS number of Bufalitoxin is 35455-33-5.
What is the molecular formula of Bufalitoxin?
The molecular formula of Bufalitoxin is C38H58N4O8.
What is the molecular weight of Bufalitoxin?
The molecular weight of Bufalitoxin is 698.43 g/mol.
Where can I buy Bufalitoxin?
You can request a quote for Bufalitoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bufalitoxin?
Yes, KEHONG BIO provides custom synthesis services for Bufalitoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.