7-Epi-Taxol
TL;DR: 7-Epi-Taxol (CAS 115392-08-0) is a chemical compound with molecular formula C47H51NO14 and molecular weight 853.33 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,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Also Known As: 7-Epitaxol, 7-epi-Taxol, 7-Epipaclitaxel, Epitaxol, 7-epi-Paclitaxel
| Molecular Formula | C47H51NO14 |
|---|---|
| Molecular Weight | 853.33 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 221.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 14 |
| Exact Mass | 853.33093 |
| Heavy Atoms | 62 |
| Complexity | 1790.0 |
Chemical Identifiers
| CAS Number | 115392-08-0 |
|---|---|
| SMILES | CC1=C2[C@H](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)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C |
| InChIKey | RCINICONZNJXQF-LYTKHFMESA-N |
Product Overview
7-Epi-Taxol (CAS 115392-08-0), with molecular formula C47H51NO14 and molecular weight 853.33 g/mol. IUPAC: [(1S,2S,3R,4S,7R,9R,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate.
Chemical Property Profile of 7-Epi-Taxol
Property Insights of 7-Epi-Taxol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Epi-Taxol. The TPSA of 221.0 Ų indicates high polarity, suggesting 7-Epi-Taxol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-Epi-Taxol 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 7-Epi-Taxol?
The CAS number of 7-Epi-Taxol is 115392-08-0.
What is the molecular formula of 7-Epi-Taxol?
The molecular formula of 7-Epi-Taxol is C47H51NO14.
What is the molecular weight of 7-Epi-Taxol?
The molecular weight of 7-Epi-Taxol is 853.33 g/mol.
Where can I buy 7-Epi-Taxol?
You can request a quote for 7-Epi-Taxol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Epi-Taxol?
Yes, KEHONG BIO provides custom synthesis services for 7-Epi-Taxol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.