Baccatin III 13-(R-N-benzoyl-iso-serinate)
TL;DR: Baccatin III 13-(R-N-benzoyl-iso-serinate) (CAS 131760-46-8) is a chemical compound with molecular formula C41H47NO14 and molecular weight 777.2997 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-15-[(2R)-3-benzamido-2-hydroxypropanoyl]oxy-1,9-dihydroxy-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-N-benzoyl-iso-serinate), Baccatin III 13-[(R)-N-benzoyl isoserinate], (1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-1,9-dihydroxy-15-{[(2R)-2-hydroxy-3-(phenylformamido)propanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl benzoate, 4alpha,10beta-Di(acetyloxy)-2alpha-benzoyloxy-5beta,20-epoxy-1alpha,7beta,13alpha-trihydroxytaxan-11-en-9-one 13-[(R)-2-hydroxy-3-benzoylaminopropanoate], N-(3-{[4,10-Bis(acetyloxy)-2-(benzoyloxy)-1,7-dihydroxy-9-oxo-5,20-epoxytax-11-en-13-yl]oxy}-2-hydroxy-3-oxopropyl)benzenecarboximidic acid
Technical Specifications
| Molecular Formula | C41H47NO14 |
| Molecular Weight | 777.2997 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 221.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 13 |
| Exact Mass | 777.2997 Da |
| Heavy Atoms | 56 |
| Complexity | 1630.0 |
| 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](CNC(=O)C5=CC=CC=C5)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C |
| InChIKey | XGCFAVZHJRXPHO-DGZPLXIUSA-N |
Chemical Property Profile of Baccatin III 13-(R-N-benzoyl-iso-serinate)
Property Insights of Baccatin III 13-(R-N-benzoyl-iso-serinate)
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Baccatin III 13-(R-N-benzoyl-iso-serinate). The TPSA of 221.0 Ų indicates high polarity, suggesting Baccatin III 13-(R-N-benzoyl-iso-serinate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Baccatin III 13-(R-N-benzoyl-iso-serinate) has 4 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Baccatin III 13-(R-N-benzoyl-iso-serinate)?
The CAS number of Baccatin III 13-(R-N-benzoyl-iso-serinate) is 131760-46-8.
What is the molecular formula of Baccatin III 13-(R-N-benzoyl-iso-serinate)?
The molecular formula of Baccatin III 13-(R-N-benzoyl-iso-serinate) is C41H47NO14.
What is the molecular weight of Baccatin III 13-(R-N-benzoyl-iso-serinate)?
The molecular weight of Baccatin III 13-(R-N-benzoyl-iso-serinate) is 777.2997 g/mol.
Where can I buy Baccatin III 13-(R-N-benzoyl-iso-serinate)?
You can request a quote for Baccatin III 13-(R-N-benzoyl-iso-serinate) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Baccatin III 13-(R-N-benzoyl-iso-serinate)?
Yes, CoreyChem provides custom synthesis services for Baccatin III 13-(R-N-benzoyl-iso-serinate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.