TOTU
TL;DR: TOTU (CAS 136849-72-4) is a chemical compound with molecular formula C10H17BF4N4O3 and molecular weight 328.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-(dimethylamino)methylidene]-dimethylazanium tetrafluoroborate
Also Known As: TOTU, U381, O-[(Ethoxycarbonyl)cyanomethylenamino]-N,N,N',N'-tetramethyluronium tetrafluoroborate, o-((ethoxycarbonyl)cyanomethyleneamino)-n,n,n',n'-tetramethyluronium tetrafluoroborate, [[(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-(dimethylamino)methylidene]-dimethylazanium;tetrafluoroborate
| Molecular Formula | C10H17BF4N4O3 |
|---|---|
| Molecular Weight | 328.13 g/mol |
| LogP | 0.93538 |
| Topological Polar Surface Area | 77.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.133 |
| Heavy Atoms | 22 |
| Complexity | 461.77255 |
Chemical Identifiers
| CAS Number | 136849-72-4 |
|---|---|
| SMILES | [B-](F)(F)(F)F.CCOC(=O)C(=NOC(=[N+](C)C)N(C)C)C#N |
Product Overview
TOTU (CAS 136849-72-4), with molecular formula C10H17BF4N4O3 and molecular weight 328.13 g/mol. IUPAC: [[(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-(dimethylamino)methylidene]-dimethylazanium tetrafluoroborate.
Chemical Property Profile of TOTU
Property Insights of TOTU
The XLogP value of 0.93538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TOTU. The TPSA of 77.93 Ų falls within the moderate polarity range, balancing permeability and solubility for TOTU. Following Lipinski's Rule of Five, TOTU has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of TOTU?
The CAS number of TOTU is 136849-72-4.
What is the molecular formula of TOTU?
The molecular formula of TOTU is C10H17BF4N4O3.
What is the molecular weight of TOTU?
The molecular weight of TOTU is 328.13 g/mol.
Where can I buy TOTU?
You can request a quote for TOTU directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TOTU?
Yes, KEHONG BIO provides custom synthesis services for TOTU and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.