Tx 54 (enzyme inhibitor)
TL;DR: Tx 54 (enzyme inhibitor) (CAS 15191-33-0) is a chemical compound with molecular formula C13H21IN2O3P+ and molecular weight 411.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-(ethyl-oxido-propan-2-yloxyphosphaniumyl)oxy-1-(3-iodo-1-methylpyridin-1-ium-2-yl)ethanimine
Also Known As: Tx 54 (enzyme inhibitor), Tx 54, N-(ethyl-oxido-propan-2-yloxy-phosphaniumyl)oxy-1-(5-iodo-1-methyl-pyridin-6-yl)ethanimine, Pyridinium, 2,(4-ethyl-1,6-dimethyl-4-oxido-3,5-dioxa-2-aza-4-phosphahept-1-en-1-yl)-1-methyl-, iodide
| Molecular Formula | C13H21IN2O3P+ |
|---|---|
| Molecular Weight | 411.03 g/mol |
| LogP | 2.4241 |
| Topological Polar Surface Area | 57.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.03345 |
| Heavy Atoms | 20 |
| Complexity | 476.25467 |
Chemical Identifiers
| CAS Number | 15191-33-0 |
|---|---|
| SMILES | CC[P+]([O-])(OC(C)C)O/N=C(\C)/C1=C(C=CC=[N+]1C)I |
Product Overview
Tx 54 (enzyme inhibitor) (CAS 15191-33-0), with molecular formula C13H21IN2O3P+ and molecular weight 411.03 g/mol. IUPAC: (E)-N-(ethyl-oxido-propan-2-yloxyphosphaniumyl)oxy-1-(3-iodo-1-methylpyridin-1-ium-2-yl)ethanimine.
Chemical Property Profile of Tx 54 (enzyme inhibitor)
Property Insights of Tx 54 (enzyme inhibitor)
The XLogP value of 2.4241 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tx 54 (enzyme inhibitor). With a topological polar surface area (TPSA) of 57.76 Ų, Tx 54 (enzyme inhibitor) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tx 54 (enzyme inhibitor) 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
Frequently Asked Questions
What is the CAS number of Tx 54 (enzyme inhibitor)?
The CAS number of Tx 54 (enzyme inhibitor) is 15191-33-0.
What is the molecular formula of Tx 54 (enzyme inhibitor)?
The molecular formula of Tx 54 (enzyme inhibitor) is C13H21IN2O3P+.
What is the molecular weight of Tx 54 (enzyme inhibitor)?
The molecular weight of Tx 54 (enzyme inhibitor) is 411.03 g/mol.
Where can I buy Tx 54 (enzyme inhibitor)?
You can request a quote for Tx 54 (enzyme inhibitor) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tx 54 (enzyme inhibitor)?
Yes, KEHONG BIO provides custom synthesis services for Tx 54 (enzyme inhibitor) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.