Baccatin III 13-(R-lactate)
TL;DR: Baccatin III 13-(R-lactate) (CAS 131760-44-6) is a chemical compound with molecular formula C34H42O13 and molecular weight 658.2625 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-1,9-dihydroxy-15-[(2R)-2-hydroxypropanoyl]oxy-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: Baccatin III 13-(R-lactate), Baccatin III 13-[(R)-lactate], 7,11-Methano-1H-cyclodeca(3,4)benz(1,2-b)oxete, propanic acid deriv., (1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-1,9-dihydroxy-15-{[(2R)-2-hydroxypropanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl benzoate, 4,10beta-Bis(acetyloxy)-1,7beta-dihydroxy-13alpha-{[(2R)-2-hydroxypropanoyl]oxy}-9-oxo-4alpha,5beta-5,20-epoxytax-11-en-2alpha-yl benzoate
Technical Specifications
| Molecular Formula | C34H42O13 |
| Molecular Weight | 658.2625 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 192.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 658.2625 Da |
| Heavy Atoms | 47 |
| Complexity | 1360.0 |
| 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]1OC(=O)[C@@H](C)O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)OC(=O)C |
| InChIKey | JWRBSSQDANQBHW-MIQPYGOYSA-N |
Chemical Property Profile of Baccatin III 13-(R-lactate)
Property Insights of Baccatin III 13-(R-lactate)
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Baccatin III 13-(R-lactate). The TPSA of 192.0 Ų indicates high polarity, suggesting Baccatin III 13-(R-lactate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Baccatin III 13-(R-lactate) has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Baccatin III 13-(R-lactate)?
The CAS number of Baccatin III 13-(R-lactate) is 131760-44-6.
What is the molecular formula of Baccatin III 13-(R-lactate)?
The molecular formula of Baccatin III 13-(R-lactate) is C34H42O13.
What is the molecular weight of Baccatin III 13-(R-lactate)?
The molecular weight of Baccatin III 13-(R-lactate) is 658.2625 g/mol.
Where can I buy Baccatin III 13-(R-lactate)?
You can request a quote for Baccatin III 13-(R-lactate) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Baccatin III 13-(R-lactate)?
Yes, CoreyChem provides custom synthesis services for Baccatin III 13-(R-lactate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.