7-epi-10-Oxo-10-deacetyl Baccatin III
TL;DR: 7-epi-10-Oxo-10-deacetyl Baccatin III (CAS 151636-94-1) is a chemical compound with molecular formula C29H34O10 and molecular weight 542.2152 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1S,2S,3R,4S,7R,9R,10S,15S)-4-acetyloxy-1,9,15-trihydroxy-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: 10-Dehydrobaccatin V, 7-epi-10-Oxo-10-deacetyl Baccatin III, Docetaxel Impurity 20, Docetaxel Impurity 27, Docetaxel Impurity 41
Technical Specifications
| Molecular Formula | C29H34O10 |
| Molecular Weight | 542.2152 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 157.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 542.2152 Da |
| Heavy Atoms | 39 |
| Complexity | 1130.0 |
| 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]1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C |
| InChIKey | UEDMLPVUDFCAQM-IWVNULRZSA-N |
Chemical Property Profile of 7-epi-10-Oxo-10-deacetyl Baccatin III
Property Insights of 7-epi-10-Oxo-10-deacetyl Baccatin III
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-epi-10-Oxo-10-deacetyl Baccatin III. The TPSA of 157.0 Ų indicates high polarity, suggesting 7-epi-10-Oxo-10-deacetyl Baccatin III may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-epi-10-Oxo-10-deacetyl Baccatin III has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 7-epi-10-Oxo-10-deacetyl Baccatin III?
The CAS number of 7-epi-10-Oxo-10-deacetyl Baccatin III is 151636-94-1.
What is the molecular formula of 7-epi-10-Oxo-10-deacetyl Baccatin III?
The molecular formula of 7-epi-10-Oxo-10-deacetyl Baccatin III is C29H34O10.
What is the molecular weight of 7-epi-10-Oxo-10-deacetyl Baccatin III?
The molecular weight of 7-epi-10-Oxo-10-deacetyl Baccatin III is 542.2152 g/mol.
Where can I buy 7-epi-10-Oxo-10-deacetyl Baccatin III?
You can request a quote for 7-epi-10-Oxo-10-deacetyl Baccatin III directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-epi-10-Oxo-10-deacetyl Baccatin III?
Yes, CoreyChem provides custom synthesis services for 7-epi-10-Oxo-10-deacetyl Baccatin III and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.