Taxuspine J
TL;DR: Taxuspine J (CAS 164991-82-6) is a chemical compound with molecular formula C37H46O11 and molecular weight 666.304 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S,4R,5R,5aS,6S,8S,9aR,10aS)-2,4,5,6-tetraacetyloxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-9-methylidene-2,4,5,6,7,8,9a,10-octahydro-1H-benzo[f]azulen-8-yl] (E)-3-phenylprop-2-enoate
Also Known As: Taxuspine J, J1.598.551H, [(2S,4R,5R,5aS,6S,8S,9aR,10aS)-2,4,5,6-tetraacetyloxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-9-methylidene-2,4,5,6,7,8,9a,10-octahydro-1H-benzo[f]azulen-8-yl] (E)-3-phenylprop-2-enoate, ((2S,4R,5R,5aS,6S,8S,9aR,10aS)-2,4,5,6-tetraacetyloxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-9-methylidene-2,4,5,6,7,8,9a,10-octahydro-1H-benzo(f)azulen-8-yl) (E)-3-phenylprop-2-enoate, (2S)-2,3,3a,4,4abeta,5,6,7,8,8a,9,10-Dodecahydro-1,8aalpha-dimethyl-5-methylene-3aalpha-(1-hydroxy-1-methylethyl)benzo[f]azulene-2beta,6beta,8alpha,9beta,10alpha-pentol 6-[(E)-3-phenylpropenoate]2,8,9,10-tetraacetate
Technical Specifications
| Molecular Formula | C37H46O11 |
| Molecular Weight | 666.304 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 152.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 13 |
| Exact Mass | 666.304 Da |
| Heavy Atoms | 48 |
| Complexity | 1380.0 |
| SMILES | CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H](C(=C)[C@H]3C[C@@]2(C[C@@H]1OC(=O)C)C(C)(C)O)OC(=O)/C=C/C4=CC=CC=C4)OC(=O)C)C)OC(=O)C)OC(=O)C |
| InChIKey | FGTMAWRUPJWDFN-NRHDFMLESA-N |
Chemical Property Profile of Taxuspine J
Property Insights of Taxuspine J
The XLogP value of 3.3 indicates that Taxuspine J is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.0 Ų indicates high polarity, suggesting Taxuspine J may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Taxuspine J has 1 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 Taxuspine J?
The CAS number of Taxuspine J is 164991-82-6.
What is the molecular formula of Taxuspine J?
The molecular formula of Taxuspine J is C37H46O11.
What is the molecular weight of Taxuspine J?
The molecular weight of Taxuspine J is 666.304 g/mol.
Where can I buy Taxuspine J?
You can request a quote for Taxuspine J directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Taxuspine J?
Yes, CoreyChem provides custom synthesis services for Taxuspine J and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.