Oral taxane (cancer), BMS
TL;DR: Oral taxane (cancer), BMS (CAS 355113-98-3) is a chemical compound with molecular formula C43H59NO16 and molecular weight 845.38 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)-12-acetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-4,4-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]oxy-4-methoxycarbonyloxy-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: Oral taxane (cancer), BMS, BMS 275183, BMS 275183 [WHO-DD], Oral taxane (cancer), Bristol-Myers Squibb, [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-12-acetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-4,4-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]oxy-4-methoxycarbonyloxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
| Molecular Formula | C43H59NO16 |
|---|---|
| Molecular Weight | 845.38 g/mol |
| LogP | 3.7237 |
| Topological Polar Surface Area | 239.75 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 845.38336 |
| Heavy Atoms | 60 |
| Complexity | 1914.0405 |
Chemical Identifiers
| CAS Number | 355113-98-3 |
|---|---|
| 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)OC)O)C)OC(=O)C |
Product Overview
Oral taxane (cancer), BMS (CAS 355113-98-3), with molecular formula C43H59NO16 and molecular weight 845.38 g/mol. IUPAC: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-12-acetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-4,4-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]oxy-4-methoxycarbonyloxy-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 Oral taxane (cancer), BMS
Property Insights of Oral taxane (cancer), BMS
The XLogP value of 3.7237 indicates that Oral taxane (cancer), BMS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 239.75 Ų indicates high polarity, suggesting Oral taxane (cancer), BMS may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oral taxane (cancer), BMS has 4 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Oral taxane (cancer), BMS?
The CAS number of Oral taxane (cancer), BMS is 355113-98-3.
What is the molecular formula of Oral taxane (cancer), BMS?
The molecular formula of Oral taxane (cancer), BMS is C43H59NO16.
What is the molecular weight of Oral taxane (cancer), BMS?
The molecular weight of Oral taxane (cancer), BMS is 845.38 g/mol.
Where can I buy Oral taxane (cancer), BMS?
You can request a quote for Oral taxane (cancer), BMS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oral taxane (cancer), BMS?
Yes, KEHONG BIO provides custom synthesis services for Oral taxane (cancer), BMS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.