Taxchinin A
TL;DR: Taxchinin A (CAS 146621-74-1) is a chemical compound with molecular formula C33H42O11 and molecular weight 614.2727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S,4R,5R,5aS,6S,8S,9aR,10S,10aS)-5,6,10-triacetyloxy-2,8-dihydroxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-9-methylidene-2,4,5,6,7,8,9a,10-octahydro-1H-benzo[g]azulen-4-yl] benzoate
Also Known As: Taxchinin A, [(2S,4R,5R,5aS,6S,8S,9aR,10S,10aS)-5,6,10-triacetyloxy-2,8-dihydroxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-9-methylidene-2,4,5,6,7,8,9a,10-octahydro-1H-benzo[g]azulen-4-yl] benzoate, ((2S,4R,5R,5aS,6S,8S,9aR,10S,10aS)-5,6,10-triacetyloxy-2,8-dihydroxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-9-methylidene-2,4,5,6,7,8,9a,10-octahydro-1H-benzo(g)azulen-4-yl) benzoate
Technical Specifications
| Molecular Formula | C33H42O11 |
| Molecular Weight | 614.2727 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 166.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 614.2727 Da |
| Heavy Atoms | 44 |
| Complexity | 1230.0 |
| SMILES | CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H](C(=C)[C@H]3[C@@H]([C@@]2(C[C@@H]1O)C(C)(C)O)OC(=O)C)O)OC(=O)C)C)OC(=O)C)OC(=O)C4=CC=CC=C4 |
| InChIKey | VETCXRGMQJYOHM-JGYXPHOZSA-N |
Chemical Property Profile of Taxchinin A
Property Insights of Taxchinin A
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Taxchinin A. The TPSA of 166.0 Ų indicates high polarity, suggesting Taxchinin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Taxchinin A has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Taxchinin A?
The CAS number of Taxchinin A is 146621-74-1.
What is the molecular formula of Taxchinin A?
The molecular formula of Taxchinin A is C33H42O11.
What is the molecular weight of Taxchinin A?
The molecular weight of Taxchinin A is 614.2727 g/mol.
Where can I buy Taxchinin A?
You can request a quote for Taxchinin A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Taxchinin A?
Yes, CoreyChem provides custom synthesis services for Taxchinin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.