A-Hydroxy-10-DAB
TL;DR: A-Hydroxy-10-DAB (CAS 145533-34-2) is a chemical compound with molecular formula C29H36O11 and molecular weight 560.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4-acetyloxy-1,9,12,15,16-pentahydroxy-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: A-Hydroxy-10-DAB, Docetaxel Impurity 59, A-Hydroxy-10-DAB, 14-hydroxy-10-deacetylbaccatin Iii, 14
| Molecular Formula | C29H36O11 |
|---|---|
| Molecular Weight | 560.23 g/mol |
| LogP | 0.0526 |
| Topological Polar Surface Area | 180.05 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 3 |
| Exact Mass | 560.22577 |
| Heavy Atoms | 40 |
| Complexity | 1273.7822 |
Chemical Identifiers
| CAS Number | 145533-34-2 |
|---|---|
| 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@H]([C@@H]1O)O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O |
Product Overview
A-Hydroxy-10-DAB (CAS 145533-34-2), with molecular formula C29H36O11 and molecular weight 560.23 g/mol. IUPAC: [(1R,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4-acetyloxy-1,9,12,15,16-pentahydroxy-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 A-Hydroxy-10-DAB
Property Insights of A-Hydroxy-10-DAB
The XLogP value of 0.0526 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A-Hydroxy-10-DAB. The TPSA of 180.05 Ų indicates high polarity, suggesting A-Hydroxy-10-DAB may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A-Hydroxy-10-DAB has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A-Hydroxy-10-DAB?
The CAS number of A-Hydroxy-10-DAB is 145533-34-2.
What is the molecular formula of A-Hydroxy-10-DAB?
The molecular formula of A-Hydroxy-10-DAB is C29H36O11.
What is the molecular weight of A-Hydroxy-10-DAB?
The molecular weight of A-Hydroxy-10-DAB is 560.23 g/mol.
Where can I buy A-Hydroxy-10-DAB?
You can request a quote for A-Hydroxy-10-DAB directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A-Hydroxy-10-DAB?
Yes, KEHONG BIO provides custom synthesis services for A-Hydroxy-10-DAB and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.