1-hydroxy-7,9-dideacetylbaccatin I
TL;DR: 1-hydroxy-7,9-dideacetylbaccatin I (CAS 142203-64-3) is a chemical compound with molecular formula C28H40O12 and molecular weight 568.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1'S,2'S,3'R,5'S,7'S,8'S,9'R,10'R,13'S)-2',10',13'-triacetyloxy-1',7',9'-trihydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-5'-yl] acetate
Also Known As: Hddabi, Taxumairol B, 1-Hydroxy-7,9-dideacetylbaccatin I, 1-Hydroxy-7,9-dideacetyl baccatin I, [(1'S,2'S,3'R,5'S,7'S,8'S,9'R,10'R,13'S)-2',10',13'-triacetyloxy-1',7',9'-trihydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-5'-yl] acetate
| Molecular Formula | C28H40O12 |
|---|---|
| Molecular Weight | 568.25 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 568.25195 |
| Heavy Atoms | 40 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 142203-64-3 |
|---|---|
| SMILES | CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H](C4([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)C)O)OC(=O)C)CO4)OC(=O)C)O)C)O)OC(=O)C |
| InChIKey | WJMBBODKITXTJA-YHGXYTIQSA-N |
Product Overview
1-hydroxy-7,9-dideacetylbaccatin I (CAS 142203-64-3), with molecular formula C28H40O12 and molecular weight 568.25 g/mol. IUPAC: [(1'S,2'S,3'R,5'S,7'S,8'S,9'R,10'R,13'S)-2',10',13'-triacetyloxy-1',7',9'-trihydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-5'-yl] acetate.
Chemical Property Profile of 1-hydroxy-7,9-dideacetylbaccatin I
Property Insights of 1-hydroxy-7,9-dideacetylbaccatin I
The XLogP value of -0.5 indicates that 1-hydroxy-7,9-dideacetylbaccatin I is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 178.0 Ų indicates high polarity, suggesting 1-hydroxy-7,9-dideacetylbaccatin I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-hydroxy-7,9-dideacetylbaccatin I has 3 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 1-hydroxy-7,9-dideacetylbaccatin I?
The CAS number of 1-hydroxy-7,9-dideacetylbaccatin I is 142203-64-3.
What is the molecular formula of 1-hydroxy-7,9-dideacetylbaccatin I?
The molecular formula of 1-hydroxy-7,9-dideacetylbaccatin I is C28H40O12.
What is the molecular weight of 1-hydroxy-7,9-dideacetylbaccatin I?
The molecular weight of 1-hydroxy-7,9-dideacetylbaccatin I is 568.25 g/mol.
Where can I buy 1-hydroxy-7,9-dideacetylbaccatin I?
You can request a quote for 1-hydroxy-7,9-dideacetylbaccatin I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-hydroxy-7,9-dideacetylbaccatin I?
Yes, KEHONG BIO provides custom synthesis services for 1-hydroxy-7,9-dideacetylbaccatin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.