2-Deacetyltaxachitriene A
TL;DR: 2-Deacetyltaxachitriene A (CAS 214769-96-7) is a chemical compound with molecular formula C30H42O12 and molecular weight 594.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2S,5S,7S,8Z,10R,13S)-7,9,10,13-tetraacetyloxy-2,5-dihydroxy-8,12,15,15-tetramethyl-4-bicyclo[9.3.1]pentadeca-3,8,11-trienyl]methyl acetate
Also Known As: 2-Deacetyltaxachitriene A, [(1R,2S,5S,7S,8Z,10R,13S)-7,9,10,13-tetraacetyloxy-2,5-dihydroxy-8,12,15,15-tetramethyl-4-bicyclo[9.3.1]pentadeca-3,8,11-trienyl]methyl acetate
| Molecular Formula | C30H42O12 |
|---|---|
| Molecular Weight | 594.27 g/mol |
| LogP | 2.5962 |
| Topological Polar Surface Area | 171.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 594.26764 |
| Heavy Atoms | 42 |
| Complexity | 1190.5864 |
Chemical Identifiers
| CAS Number | 214769-96-7 |
|---|---|
| SMILES | CC1=C2[C@H](/C(=C(/[C@H](C[C@@H](C(=C[C@@H]([C@@H](C2(C)C)C[C@@H]1OC(=O)C)O)COC(=O)C)O)OC(=O)C)\C)/OC(=O)C)OC(=O)C |
Product Overview
2-Deacetyltaxachitriene A (CAS 214769-96-7), with molecular formula C30H42O12 and molecular weight 594.27 g/mol. IUPAC: [(1R,2S,5S,7S,8Z,10R,13S)-7,9,10,13-tetraacetyloxy-2,5-dihydroxy-8,12,15,15-tetramethyl-4-bicyclo[9.3.1]pentadeca-3,8,11-trienyl]methyl acetate.
Chemical Property Profile of 2-Deacetyltaxachitriene A
Property Insights of 2-Deacetyltaxachitriene A
The XLogP value of 2.5962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Deacetyltaxachitriene A. The TPSA of 171.96 Ų indicates high polarity, suggesting 2-Deacetyltaxachitriene A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Deacetyltaxachitriene A has 2 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 2-Deacetyltaxachitriene A?
The CAS number of 2-Deacetyltaxachitriene A is 214769-96-7.
What is the molecular formula of 2-Deacetyltaxachitriene A?
The molecular formula of 2-Deacetyltaxachitriene A is C30H42O12.
What is the molecular weight of 2-Deacetyltaxachitriene A?
The molecular weight of 2-Deacetyltaxachitriene A is 594.27 g/mol.
Where can I buy 2-Deacetyltaxachitriene A?
You can request a quote for 2-Deacetyltaxachitriene A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Deacetyltaxachitriene A?
Yes, KEHONG BIO provides custom synthesis services for 2-Deacetyltaxachitriene A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.