Taxane Ia
TL;DR: Taxane Ia (CAS 115217-60-2) is a chemical compound with molecular formula C45H47NO13 and molecular weight 809.30 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-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-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: Taxane Ia, 10-deacetyl-10-oxo-7-epi-taxol, 7-epi-10-oxo-10-deacetyltaxol, 10-Deacetyl-10-oxo-7-epitaxol, KST-1A0712
| Molecular Formula | C45H47NO13 |
|---|---|
| Molecular Weight | 809.30 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 212.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Exact Mass | 809.30475 |
| Heavy Atoms | 59 |
| Complexity | 1720.0 |
Chemical Identifiers
| CAS Number | 115217-60-2 |
|---|---|
| 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)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C |
| InChIKey | CJCYABFPESVRKC-VIMPDCIZSA-N |
Product Overview
Taxane Ia (CAS 115217-60-2), with molecular formula C45H47NO13 and molecular weight 809.30 g/mol. IUPAC: [(1S,2S,3R,4S,7R,9R,10S,15S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-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 Taxane Ia
Property Insights of Taxane Ia
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Taxane Ia. The TPSA of 212.0 Ų indicates high polarity, suggesting Taxane Ia may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Taxane Ia has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Taxane Ia?
The CAS number of Taxane Ia is 115217-60-2.
What is the molecular formula of Taxane Ia?
The molecular formula of Taxane Ia is C45H47NO13.
What is the molecular weight of Taxane Ia?
The molecular weight of Taxane Ia is 809.30 g/mol.
Where can I buy Taxane Ia?
You can request a quote for Taxane Ia directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Taxane Ia?
Yes, KEHONG BIO provides custom synthesis services for Taxane Ia and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.