2,3,6-TBA-dimethylammonium
TL;DR: 2,3,6-TBA-dimethylammonium (CAS 3426-62-8) is a chemical compound with molecular formula C9H10Cl3NO2 and molecular weight 268.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethylazanium;2,3,6-trichlorobenzoate
Also Known As: Polidim, Trysben, Benzac, Trysben 200, Benzac 1281
| Molecular Formula | C9H10Cl3NO2 |
|---|---|
| Molecular Weight | 268.98 g/mol |
| LogP | 0.82 |
| Topological Polar Surface Area | 56.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 268.97772 |
| Heavy Atoms | 15 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 3426-62-8 |
|---|---|
| SMILES | C[NH2+]C.C1=CC(=C(C(=C1Cl)C(=O)[O-])Cl)Cl |
| InChIKey | QSFRJEUITMJQCX-UHFFFAOYSA-N |
Product Overview
2,3,6-TBA-dimethylammonium (CAS 3426-62-8), with molecular formula C9H10Cl3NO2 and molecular weight 268.98 g/mol. IUPAC: dimethylazanium;2,3,6-trichlorobenzoate.
Chemical Property Profile of 2,3,6-TBA-dimethylammonium
Property Insights of 2,3,6-TBA-dimethylammonium
The XLogP value of 0.82 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,6-TBA-dimethylammonium. With a topological polar surface area (TPSA) of 56.7 Ų, 2,3,6-TBA-dimethylammonium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,6-TBA-dimethylammonium has 1 hydrogen bond donor(s) and 2 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 2,3,6-TBA-dimethylammonium?
The CAS number of 2,3,6-TBA-dimethylammonium is 3426-62-8.
What is the molecular formula of 2,3,6-TBA-dimethylammonium?
The molecular formula of 2,3,6-TBA-dimethylammonium is C9H10Cl3NO2.
What is the molecular weight of 2,3,6-TBA-dimethylammonium?
The molecular weight of 2,3,6-TBA-dimethylammonium is 268.98 g/mol.
Where can I buy 2,3,6-TBA-dimethylammonium?
You can request a quote for 2,3,6-TBA-dimethylammonium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,6-TBA-dimethylammonium?
Yes, KEHONG BIO provides custom synthesis services for 2,3,6-TBA-dimethylammonium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.