P52T4AF4L7
TL;DR: P52T4AF4L7 (CAS 178250-23-2) is a chemical compound with molecular formula C45H59NO15 and molecular weight 853.39 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-acetyloxy-12-(cyclopropanecarbonyloxy)-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoyl]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: SB-T-1214, SB T-1214, SB-T-12145, 10-(cyclopropylcarbonyl)-3'-dephenyl-3'-(2-methyl-2-propenyl)docetaxel, (1S)-5beta,20-Epoxy-9-oxotax-11-ene-1,2alpha,4,7beta,10beta,13alpha-hexol 2-benzoate 4-acetate 10-(cyclopropanecarboxylate)13-[(2R,3S)-2-hydroxy-3-[(tert-butoxycarbonyl)amino]-5-methyl-4-hexenoate]
| Molecular Formula | C45H59NO15 |
|---|---|
| Molecular Weight | 853.39 g/mol |
| LogP | 3.814 |
| Topological Polar Surface Area | 230.52 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 10 |
| Exact Mass | 853.3885 |
| Heavy Atoms | 61 |
| Complexity | 2011.3359 |
Chemical Identifiers
| CAS Number | 178250-23-2 |
|---|---|
| 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@H](C=C(C)C)NC(=O)OC(C)(C)C)O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)OC(=O)C6CC6 |
Product Overview
P52T4AF4L7 (CAS 178250-23-2), with molecular formula C45H59NO15 and molecular weight 853.39 g/mol. IUPAC: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoyl]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 P52T4AF4L7
Property Insights of P52T4AF4L7
The XLogP value of 3.814 indicates that P52T4AF4L7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 230.52 Ų indicates high polarity, suggesting P52T4AF4L7 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, P52T4AF4L7 has 4 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of P52T4AF4L7?
The CAS number of P52T4AF4L7 is 178250-23-2.
What is the molecular formula of P52T4AF4L7?
The molecular formula of P52T4AF4L7 is C45H59NO15.
What is the molecular weight of P52T4AF4L7?
The molecular weight of P52T4AF4L7 is 853.39 g/mol.
Where can I buy P52T4AF4L7?
You can request a quote for P52T4AF4L7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for P52T4AF4L7?
Yes, KEHONG BIO provides custom synthesis services for P52T4AF4L7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.