Tesetaxel
TL;DR: Tesetaxel (CAS 333754-36-2) is a chemical compound with molecular formula C46H60FN3O13 and molecular weight 881.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-[(dimethylamino)methyl]-18-[(2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-16-hydroxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate
Also Known As: Tesetaxel, tesetaxelum, Tesetaxel [INN], TESETAXEL [WHO-DD], DJ 927
| Molecular Formula | C46H60FN3O13 |
|---|---|
| Molecular Weight | 881.41 g/mol |
| LogP | 4.5646 |
| Topological Polar Surface Area | 201.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 10 |
| Exact Mass | 881.411 |
| Heavy Atoms | 63 |
| Complexity | 2128.0322 |
Chemical Identifiers
| CAS Number | 333754-36-2 |
|---|---|
| SMILES | CC1=C2[C@@H]3[C@H]([C@@]4(CC[C@@H]5[C@]([C@H]4[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C6=C(C=CC=N6)F)NC(=O)OC(C)(C)C)O)O)OC(=O)C7=CC=CC=C7)(CO5)OC(=O)C)C)O[C@@H](O3)CN(C)C |
Product Overview
Tesetaxel (CAS 333754-36-2), with molecular formula C46H60FN3O13 and molecular weight 881.41 g/mol. IUPAC: [(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-[(dimethylamino)methyl]-18-[(2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-16-hydroxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate.
Chemical Property Profile of Tesetaxel
Property Insights of Tesetaxel
The XLogP value of 4.5646 indicates that Tesetaxel is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 201.51 Ų indicates high polarity, suggesting Tesetaxel may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tesetaxel has 3 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tesetaxel?
The CAS number of Tesetaxel is 333754-36-2.
What is the molecular formula of Tesetaxel?
The molecular formula of Tesetaxel is C46H60FN3O13.
What is the molecular weight of Tesetaxel?
The molecular weight of Tesetaxel is 881.41 g/mol.
Where can I buy Tesetaxel?
You can request a quote for Tesetaxel directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tesetaxel?
Yes, KEHONG BIO provides custom synthesis services for Tesetaxel and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.