7-Deoxypaclitaxel
TL;DR: 7-Deoxypaclitaxel (CAS 149705-85-1) is a chemical compound with molecular formula C47H51NO13 and molecular weight 837.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,3R,4S,7R,10R,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1-hydroxy-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-Deoxytaxol, 7-deoxypaclitaxel, 7-deoxy paclitaxel, 7-Deoxypapaclitaxel, (1S)-4alpha,10beta-Bis(acetoxy)-2alpha-(benzoyloxy)-5beta,20-epoxy-1-hydroxy-13alpha-[[(2R,3S)-2-hydroxy-3-(benzoylamino)-3-phenylpropionyl]oxy]tax-11-en-9-one
| Molecular Formula | C47H51NO13 |
|---|---|
| Molecular Weight | 837.34 g/mol |
| LogP | 4.7649 |
| Topological Polar Surface Area | 201.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 837.33606 |
| Heavy Atoms | 61 |
| Complexity | 2243.127 |
Chemical Identifiers
| CAS Number | 149705-85-1 |
|---|---|
| SMILES | CC1=C2[C@H](C(=O)[C@@]3(CC[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)C)OC(=O)C |
Product Overview
7-Deoxypaclitaxel (CAS 149705-85-1), with molecular formula C47H51NO13 and molecular weight 837.34 g/mol. IUPAC: [(1S,2S,3R,4S,7R,10R,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1-hydroxy-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-Deoxypaclitaxel
Property Insights of 7-Deoxypaclitaxel
The XLogP value of 4.7649 indicates that 7-Deoxypaclitaxel is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 201.06 Ų indicates high polarity, suggesting 7-Deoxypaclitaxel may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-Deoxypaclitaxel has 3 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 7-Deoxypaclitaxel?
The CAS number of 7-Deoxypaclitaxel is 149705-85-1.
What is the molecular formula of 7-Deoxypaclitaxel?
The molecular formula of 7-Deoxypaclitaxel is C47H51NO13.
What is the molecular weight of 7-Deoxypaclitaxel?
The molecular weight of 7-Deoxypaclitaxel is 837.34 g/mol.
Where can I buy 7-Deoxypaclitaxel?
You can request a quote for 7-Deoxypaclitaxel directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Deoxypaclitaxel?
Yes, KEHONG BIO provides custom synthesis services for 7-Deoxypaclitaxel and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.