Cino-bufotoxin
TL;DR: Cino-bufotoxin (CAS 60113-07-7) is a chemical compound with molecular formula C40H58N4O10 and molecular weight 754.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[8-[[(2S,4R,5R,6R,7R,11S,14S,16R)-5-acetyloxy-7,11-dimethyl-6-(2-oxopyran-4-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl]oxy]-8-oxooctanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Also Known As: Cino-bufotoxin, 4-19-00-02840 (Beilstein Handbook Reference), Bufa-20,22-dienolide, 16-(acetyloxy)-3-((8-((4-((aminoiminomethyl)amino)-1-carboxybutyl)amino)-1,8-dioxooctyl)oxy)-14,15-epoxy-, (3-beta(S),5-beta,15-beta,16-beta)-, N~2~-(8-{[(8xi,9xi)-16beta-(Acetyloxy)-17beta-(2-oxo-2H-pyran-4-yl)-5beta,14beta,15beta-14,15-epoxyandrostan-3beta-yl]oxy}-1-hydroxy-8-oxooctylidene)arginine, N~2~-(8-{[16-(Acetyloxy)-17-(2-oxo-2H-pyran-4-yl)-14,15-epoxyandrostan-3-yl]oxy}-1-hydroxy-8-oxooctylidene)arginine
| Molecular Formula | C40H58N4O10 |
|---|---|
| Molecular Weight | 754.42 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 222.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 18 |
| Exact Mass | 754.4153 |
| Heavy Atoms | 54 |
| Complexity | 1570.0 |
Chemical Identifiers
| CAS Number | 60113-07-7 |
|---|---|
| SMILES | CC(=O)O[C@@H]1[C@@H]([C@]2(CCC3C([C@@]24[C@@H]1O4)CC[C@H]5[C@@]3(CC[C@@H](C5)OC(=O)CCCCCCC(=O)NC(CCCN=C(N)N)C(=O)O)C)C)C6=CC(=O)OC=C6 |
| InChIKey | JYDJGHJTGIKKPD-JARWKFDMSA-N |
Product Overview
Cino-bufotoxin (CAS 60113-07-7), with molecular formula C40H58N4O10 and molecular weight 754.42 g/mol. IUPAC: 2-[[8-[[(2S,4R,5R,6R,7R,11S,14S,16R)-5-acetyloxy-7,11-dimethyl-6-(2-oxopyran-4-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl]oxy]-8-oxooctanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid.
Chemical Property Profile of Cino-bufotoxin
Property Insights of Cino-bufotoxin
The XLogP value of 3.7 indicates that Cino-bufotoxin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 222.0 Ų indicates high polarity, suggesting Cino-bufotoxin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cino-bufotoxin has 4 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 Cino-bufotoxin?
The CAS number of Cino-bufotoxin is 60113-07-7.
What is the molecular formula of Cino-bufotoxin?
The molecular formula of Cino-bufotoxin is C40H58N4O10.
What is the molecular weight of Cino-bufotoxin?
The molecular weight of Cino-bufotoxin is 754.42 g/mol.
Where can I buy Cino-bufotoxin?
You can request a quote for Cino-bufotoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cino-bufotoxin?
Yes, KEHONG BIO provides custom synthesis services for Cino-bufotoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.