TPA023 metabolite M5
TL;DR: TPA023 metabolite M5 (CAS 474319-48-7) is a chemical compound with molecular formula C26H30FN7O7 and molecular weight 571.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6R)-6-[7-tert-butyl-6-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-1-ium-1-yl]-3,4,5-trihydroxyoxane-2-carboxylate
Also Known As: TPA023 metabolite M5, 1,2,4-TRIAZOLO(4,3-B)PYRIDAZINIUM, 7-(1,1-DIMETHYLETHYL)-6-((1-ETHYL-1H-1,2,4-TRIAZOL-5-YL)METHOXY)-3-(2-FLUOROPHENYL)-1-.BETA.-D-GLUCOPYRANURONOSYL-, 1,2,4-TRIAZOLO(4,3-B)PYRIDAZINIUM, 7-(1,1-DIMETHYLETHYL)-6-((1-ETHYL-1H-1,2,4-TRIAZOL-5-YL)METHOXY)-3-(2-FLUOROPHENYL)-1-.BETA.-D-GLUCOPYRANURONOSYL-, INNER SALT, 1,2,4-Triazolo(4,3-b)pyridazinium, 7-(1,1-dimethylethyl)-6-((1-ethyl-1H-1,2,4-triazol-5-yl)methoxy)-3-(2-fluorophenyl)-1-beta-D-glucopyranuronosyl-, 1,2,4-Triazolo(4,3-b)pyridazinium, 7-(1,1-dimethylethyl)-6-((1-ethyl-1H-1,2,4-triazol-5-yl)methoxy)-3-(2-fluorophenyl)-1-beta-D-glucopyranuronosyl-, inner salt
| Molecular Formula | C26H30FN7O7 |
|---|---|
| Molecular Weight | 571.22 g/mol |
| LogP | -0.9592 |
| Topological Polar Surface Area | 184.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 571.21906 |
| Heavy Atoms | 41 |
| Complexity | 1584.1511 |
Chemical Identifiers
| CAS Number | 474319-48-7 |
|---|---|
| SMILES | CCN1C(=NC=N1)COC2=NN3C(=[N+](N=C3C4=CC=CC=C4F)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O)C=C2C(C)(C)C |
Product Overview
TPA023 metabolite M5 (CAS 474319-48-7), with molecular formula C26H30FN7O7 and molecular weight 571.22 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-[7-tert-butyl-6-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-1-ium-1-yl]-3,4,5-trihydroxyoxane-2-carboxylate.
Chemical Property Profile of TPA023 metabolite M5
Property Insights of TPA023 metabolite M5
The XLogP value of -0.9592 indicates that TPA023 metabolite M5 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 184.06 Ų indicates high polarity, suggesting TPA023 metabolite M5 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, TPA023 metabolite M5 has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of TPA023 metabolite M5?
The CAS number of TPA023 metabolite M5 is 474319-48-7.
What is the molecular formula of TPA023 metabolite M5?
The molecular formula of TPA023 metabolite M5 is C26H30FN7O7.
What is the molecular weight of TPA023 metabolite M5?
The molecular weight of TPA023 metabolite M5 is 571.22 g/mol.
Where can I buy TPA023 metabolite M5?
You can request a quote for TPA023 metabolite M5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TPA023 metabolite M5?
Yes, KEHONG BIO provides custom synthesis services for TPA023 metabolite M5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.