Telocinobufatoxin
TL;DR: Telocinobufatoxin (CAS 72093-20-0) is a chemical compound with molecular formula C38H58N4O9 and molecular weight 714.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-5-(diaminomethylideneamino)-2-[[8-[[(3S,5S,8R,9S,10R,13R,14S,17R)-5,14-dihydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-8-oxooctanoyl]amino]pentanoic acid
Also Known As: Telocinobufatoxin, telocinobufagin-3-O-suberate-arginine, telocinobufagin-3-suberoyl-L-arginine, 3-(N-suberoyl argininyl)telocinobufagin, telocinobufagin-3-suberate-arginine ester
| Molecular Formula | C38H58N4O9 |
|---|---|
| Molecular Weight | 714.42 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 224.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 16 |
| Exact Mass | 714.42035 |
| Heavy Atoms | 51 |
| Complexity | 1430.0 |
Chemical Identifiers
| CAS Number | 72093-20-0 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@]1(CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O)OC(=O)CCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)O |
| InChIKey | NVQQTFUNFWUIQD-KAQSRPFMSA-N |
Product Overview
Telocinobufatoxin (CAS 72093-20-0), with molecular formula C38H58N4O9 and molecular weight 714.42 g/mol. IUPAC: (2S)-5-(diaminomethylideneamino)-2-[[8-[[(3S,5S,8R,9S,10R,13R,14S,17R)-5,14-dihydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-8-oxooctanoyl]amino]pentanoic acid.
Chemical Property Profile of Telocinobufatoxin
Property Insights of Telocinobufatoxin
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Telocinobufatoxin. The TPSA of 224.0 Ų indicates high polarity, suggesting Telocinobufatoxin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Telocinobufatoxin has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Telocinobufatoxin?
The CAS number of Telocinobufatoxin is 72093-20-0.
What is the molecular formula of Telocinobufatoxin?
The molecular formula of Telocinobufatoxin is C38H58N4O9.
What is the molecular weight of Telocinobufatoxin?
The molecular weight of Telocinobufatoxin is 714.42 g/mol.
Where can I buy Telocinobufatoxin?
You can request a quote for Telocinobufatoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Telocinobufatoxin?
Yes, KEHONG BIO provides custom synthesis services for Telocinobufatoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.