Milataxel
TL;DR: Milataxel (CAS 352425-37-7) is a chemical compound with molecular formula C44H55NO16 and molecular weight 853.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3R)-3-(furan-2-yl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-1,12-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-propanoyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Also Known As: Milataxel, milataxelum, Milataxel [INN], Milataxel (oral), TL139 cpd
| Molecular Formula | C44H55NO16 |
|---|---|
| Molecular Weight | 853.35 g/mol |
| LogP | 3.8135 |
| Topological Polar Surface Area | 243.66 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Exact Mass | 853.3521 |
| Heavy Atoms | 61 |
| Complexity | 2072.215 |
Chemical Identifiers
| CAS Number | 352425-37-7 |
|---|---|
| SMILES | CCC(=O)O[C@H]1C[C@@H]2[C@@](CO2)([C@@H]3[C@@]1(C(=O)[C@@H](C4=C([C@H](C[C@@]([C@H]3OC(=O)C5=CC=CC=C5)(C4(C)C)O)OC(=O)[C@@H]([C@H](C6=CC=CO6)NC(=O)OC(C)(C)C)O)C)O)C)OC(=O)C |
Product Overview
Milataxel (CAS 352425-37-7), with molecular formula C44H55NO16 and molecular weight 853.35 g/mol. IUPAC: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3R)-3-(furan-2-yl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-1,12-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-propanoyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate.
Chemical Property Profile of Milataxel
Property Insights of Milataxel
The XLogP value of 3.8135 indicates that Milataxel is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 243.66 Ų indicates high polarity, suggesting Milataxel may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Milataxel has 4 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Milataxel?
The CAS number of Milataxel is 352425-37-7.
What is the molecular formula of Milataxel?
The molecular formula of Milataxel is C44H55NO16.
What is the molecular weight of Milataxel?
The molecular weight of Milataxel is 853.35 g/mol.
Where can I buy Milataxel?
You can request a quote for Milataxel directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Milataxel?
Yes, KEHONG BIO provides custom synthesis services for Milataxel and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.