TDBTU
TL;DR: TDBTU (CAS 125700-69-8) is a chemical compound with molecular formula C12H16N5O2+ and molecular weight 262.1304 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
TDBTU
[dimethylamino-[(4-oxo-1,2,3-benzotriazin-3-yl)oxy]methylidene]-dimethylazanium
Also Known As: TDBTU, J1.075.762B, J1.186.341H, 2-[4-Oxo-1,2,3-benzotriazine-3(4H)-yl]-1,1,3,3-tetramethyluronium, (Dimethylamino)-N,N-dimethyl[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)oxy]methaniminium
Technical Specifications
| Molecular Formula | C12H16N5O2+ |
| Molecular Weight | 262.1304 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 60.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.1304 Da |
| Heavy Atoms | 19 |
| Complexity | 401.0 |
| SMILES | CN(C)C(=[N+](C)C)ON1C(=O)C2=CC=CC=C2N=N1 |
| InChIKey | VUWHVUNQPYWNDG-UHFFFAOYSA-N |
Chemical Property Profile of TDBTU
Property Insights of TDBTU
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TDBTU. The TPSA of 60.5 Ų falls within the moderate polarity range, balancing permeability and solubility for TDBTU. Following Lipinski's Rule of Five, TDBTU has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of TDBTU?
The CAS number of TDBTU is 125700-69-8.
What is the molecular formula of TDBTU?
The molecular formula of TDBTU is C12H16N5O2+.
What is the molecular weight of TDBTU?
The molecular weight of TDBTU is 262.1304 g/mol.
Where can I buy TDBTU?
You can request a quote for TDBTU directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for TDBTU?
Yes, CoreyChem provides custom synthesis services for TDBTU and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.