13-epi-10-DAB
TL;DR: 13-epi-10-DAB (CAS 1095548-05-2) is a chemical compound with molecular formula C29H36O10 and molecular weight 544.23 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,12R,15R)-4-acetyloxy-1,9,12,15-tetrahydroxy-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: 13-epi-10-DAB, Docetaxel Impurity 3, 13-epi-10-Deacetyl Baccatin III, Docetaxel Impurity 37, Docetaxel Impurity 48
| Molecular Formula | C29H36O10 |
|---|---|
| Molecular Weight | 544.23 g/mol |
| LogP | 1.0818 |
| Topological Polar Surface Area | 159.82 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 544.23083 |
| Heavy Atoms | 39 |
| Complexity | 1239.7148 |
Chemical Identifiers
| CAS Number | 1095548-05-2 |
|---|---|
| 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[C@H]1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O |
Product Overview
13-epi-10-DAB (CAS 1095548-05-2), with molecular formula C29H36O10 and molecular weight 544.23 g/mol. IUPAC: [(1S,2S,3R,4S,7R,9S,10S,12R,15R)-4-acetyloxy-1,9,12,15-tetrahydroxy-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 13-epi-10-DAB
Property Insights of 13-epi-10-DAB
The XLogP value of 1.0818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 13-epi-10-DAB. The TPSA of 159.82 Ų indicates high polarity, suggesting 13-epi-10-DAB may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 13-epi-10-DAB has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 13-epi-10-DAB?
The CAS number of 13-epi-10-DAB is 1095548-05-2.
What is the molecular formula of 13-epi-10-DAB?
The molecular formula of 13-epi-10-DAB is C29H36O10.
What is the molecular weight of 13-epi-10-DAB?
The molecular weight of 13-epi-10-DAB is 544.23 g/mol.
Where can I buy 13-epi-10-DAB?
You can request a quote for 13-epi-10-DAB directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13-epi-10-DAB?
Yes, KEHONG BIO provides custom synthesis services for 13-epi-10-DAB and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.