10-Deacetoxypaclitaxel
TL;DR: 10-Deacetoxypaclitaxel (CAS 148121-24-8) is a chemical compound with molecular formula C45H49NO12 and molecular weight 795.33 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,15S)-4-acetyloxy-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: 10-Deacetoxytaxol, 10-deacetoxypaclitaxel, (1S)-4alpha-Acetyloxy-2alpha-benzoyloxy-5beta,20-epoxy-1,7beta-dihydroxy-13alpha-[[(2R,3S)-3-benzoylamino-2-hydroxy-3-phenylpropionyl]oxy]tax-11-en-9-one, (1S,2S,3R,4S,7R,9S,10S,15S)-4-(acetyloxy)-1,9-dihydroxy-15-{[(2R,3S)-2-hydroxy-3-phenyl-3-(phenylformamido)propanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl benzoate, (2aR,4S,4aS,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (I+/-R,I(2)S)-I(2)-(benzoylamino)-I+/--hydroxybenzenepropanoate
| Molecular Formula | C45H49NO12 |
|---|---|
| Molecular Weight | 795.33 g/mol |
| LogP | 4.1941 |
| Topological Polar Surface Area | 194.99 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 795.3255 |
| Heavy Atoms | 58 |
| Complexity | 2122.1042 |
Chemical Identifiers
| CAS Number | 148121-24-8 |
|---|---|
| SMILES | CC1=C2CC(=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 |
Product Overview
10-Deacetoxypaclitaxel (CAS 148121-24-8), with molecular formula C45H49NO12 and molecular weight 795.33 g/mol. IUPAC: [(1S,2S,3R,4S,7R,9S,10S,15S)-4-acetyloxy-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 10-Deacetoxypaclitaxel
Property Insights of 10-Deacetoxypaclitaxel
The XLogP value of 4.1941 indicates that 10-Deacetoxypaclitaxel is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 194.99 Ų indicates high polarity, suggesting 10-Deacetoxypaclitaxel may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 10-Deacetoxypaclitaxel has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 10-Deacetoxypaclitaxel?
The CAS number of 10-Deacetoxypaclitaxel is 148121-24-8.
What is the molecular formula of 10-Deacetoxypaclitaxel?
The molecular formula of 10-Deacetoxypaclitaxel is C45H49NO12.
What is the molecular weight of 10-Deacetoxypaclitaxel?
The molecular weight of 10-Deacetoxypaclitaxel is 795.33 g/mol.
Where can I buy 10-Deacetoxypaclitaxel?
You can request a quote for 10-Deacetoxypaclitaxel directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-Deacetoxypaclitaxel?
Yes, KEHONG BIO provides custom synthesis services for 10-Deacetoxypaclitaxel and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.