O-benzotriazol-1-yl-tetramethyluronium
TL;DR: O-benzotriazol-1-yl-tetramethyluronium (CAS 221036-98-2) is a chemical compound with molecular formula C11H16N5O+ and molecular weight 234.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium
Also Known As: HBTU, TBTU, O-benzotriazol-1-yl-tetramethyluronium, O-benzotriazol-1-yl-N,N,N',N'-tetramethyluronium, O-(benzotriazol-1-yl)-1,1,3,3-tetramethyluronium
| Molecular Formula | C11H16N5O+ |
|---|---|
| Molecular Weight | 234.14 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.13548 |
| Heavy Atoms | 17 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 221036-98-2 |
|---|---|
| SMILES | CN(C)C(=[N+](C)C)ON1C2=CC=CC=C2N=N1 |
| InChIKey | CLZISMQKJZCZDN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O-benzotriazol-1-yl-tetramethyluronium (CAS 221036-98-2), with molecular formula C11H16N5O+ and molecular weight 234.14 g/mol. IUPAC: [benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium.
Chemical Property Profile of O-benzotriazol-1-yl-tetramethyluronium
Property Insights of O-benzotriazol-1-yl-tetramethyluronium
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-benzotriazol-1-yl-tetramethyluronium. With a topological polar surface area (TPSA) of 46.2 Ų, O-benzotriazol-1-yl-tetramethyluronium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-benzotriazol-1-yl-tetramethyluronium has 0 hydrogen bond donor(s) and 3 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 O-benzotriazol-1-yl-tetramethyluronium?
The CAS number of O-benzotriazol-1-yl-tetramethyluronium is 221036-98-2.
What is the molecular formula of O-benzotriazol-1-yl-tetramethyluronium?
The molecular formula of O-benzotriazol-1-yl-tetramethyluronium is C11H16N5O+.
What is the molecular weight of O-benzotriazol-1-yl-tetramethyluronium?
The molecular weight of O-benzotriazol-1-yl-tetramethyluronium is 234.14 g/mol.
Where can I buy O-benzotriazol-1-yl-tetramethyluronium?
You can request a quote for O-benzotriazol-1-yl-tetramethyluronium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-benzotriazol-1-yl-tetramethyluronium?
Yes, KEHONG BIO provides custom synthesis services for O-benzotriazol-1-yl-tetramethyluronium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.