4-epi-6-Oxodocetaxel
TL;DR: 4-epi-6-Oxodocetaxel (CAS 167074-97-7) is a chemical compound with molecular formula C43H51NO14 and molecular weight 805.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,3R,4S,7R,9R,10S,15S)-4-acetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11,12-dioxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Also Known As: 4-epi-6-Oxodocetaxel, 7-EPI-10-OXO-DOCETAXEL, Docetaxel impurity D, 7-Epi-10-oxo Docetaxel, Docetaxel EP Impurity D
| Molecular Formula | C43H51NO14 |
|---|---|
| Molecular Weight | 805.33 g/mol |
| LogP | 3.4678 |
| Topological Polar Surface Area | 221.29 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 805.33093 |
| Heavy Atoms | 58 |
| Complexity | 2023.9442 |
Chemical Identifiers
| CAS Number | 167074-97-7 |
|---|---|
| SMILES | CC1=C2C(=O)C(=O)[C@@]3([C@@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C |
Product Overview
4-epi-6-Oxodocetaxel (CAS 167074-97-7), with molecular formula C43H51NO14 and molecular weight 805.33 g/mol. IUPAC: [(1S,2S,3R,4S,7R,9R,10S,15S)-4-acetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11,12-dioxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate.
Chemical Property Profile of 4-epi-6-Oxodocetaxel
Property Insights of 4-epi-6-Oxodocetaxel
The XLogP value of 3.4678 indicates that 4-epi-6-Oxodocetaxel is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 221.29 Ų indicates high polarity, suggesting 4-epi-6-Oxodocetaxel may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-epi-6-Oxodocetaxel has 4 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-epi-6-Oxodocetaxel?
The CAS number of 4-epi-6-Oxodocetaxel is 167074-97-7.
What is the molecular formula of 4-epi-6-Oxodocetaxel?
The molecular formula of 4-epi-6-Oxodocetaxel is C43H51NO14.
What is the molecular weight of 4-epi-6-Oxodocetaxel?
The molecular weight of 4-epi-6-Oxodocetaxel is 805.33 g/mol.
Where can I buy 4-epi-6-Oxodocetaxel?
You can request a quote for 4-epi-6-Oxodocetaxel directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-epi-6-Oxodocetaxel?
Yes, KEHONG BIO provides custom synthesis services for 4-epi-6-Oxodocetaxel and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.