Baccatin III 13-(R-3-phenyllactate)
TL;DR: Baccatin III 13-(R-3-phenyllactate) (CAS 131760-45-7) is a chemical compound with molecular formula C40H46O13 and molecular weight 734.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-1,9-dihydroxy-15-[(2R)-2-hydroxy-3-phenylpropanoyl]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-3-phenyllactate), Baccatin III 13-[(R)-3-phenyllactate], (1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-1,9-dihydroxy-15-{[(2R)-2-hydroxy-3-phenylpropanoyl]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-hydroxy-3-phenylpropanoyl]oxy}-9-oxo-4alpha,5beta-5,20-epoxytax-11-en-2alpha-yl benzoate, 4alpha,10beta-Di(acetyloxy)-2alpha-benzoyloxy-5beta,20-epoxy-1alpha,7beta,13alpha-trihydroxytaxan-11-en-9-one 13-[(R)-2-hydroxy-3-phenylpropanoate]
| Molecular Formula | C40H46O13 |
|---|---|
| Molecular Weight | 734.29 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 192.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Exact Mass | 734.2938 |
| Heavy Atoms | 53 |
| Complexity | 1510.0 |
Chemical Identifiers
| CAS Number | 131760-45-7 |
|---|---|
| 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](CC5=CC=CC=C5)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C |
| InChIKey | POYNUVAEPVGQSP-ICKHWRRZSA-N |
Product Overview
Baccatin III 13-(R-3-phenyllactate) (CAS 131760-45-7), with molecular formula C40H46O13 and molecular weight 734.29 g/mol. IUPAC: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-1,9-dihydroxy-15-[(2R)-2-hydroxy-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate.
Chemical Property Profile of Baccatin III 13-(R-3-phenyllactate)
Property Insights of Baccatin III 13-(R-3-phenyllactate)
The XLogP value of 3.1 indicates that Baccatin III 13-(R-3-phenyllactate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 192.0 Ų indicates high polarity, suggesting Baccatin III 13-(R-3-phenyllactate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Baccatin III 13-(R-3-phenyllactate) has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Baccatin III 13-(R-3-phenyllactate)?
The CAS number of Baccatin III 13-(R-3-phenyllactate) is 131760-45-7.
What is the molecular formula of Baccatin III 13-(R-3-phenyllactate)?
The molecular formula of Baccatin III 13-(R-3-phenyllactate) is C40H46O13.
What is the molecular weight of Baccatin III 13-(R-3-phenyllactate)?
The molecular weight of Baccatin III 13-(R-3-phenyllactate) is 734.29 g/mol.
Where can I buy Baccatin III 13-(R-3-phenyllactate)?
You can request a quote for Baccatin III 13-(R-3-phenyllactate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Baccatin III 13-(R-3-phenyllactate)?
Yes, KEHONG BIO provides custom synthesis services for Baccatin III 13-(R-3-phenyllactate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.