Larotaxel dihydrate
TL;DR: Larotaxel dihydrate (CAS 192573-38-9) is a chemical compound with molecular formula C45H57NO16 and molecular weight 867.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,3R,4S,7R,9S,11R,13R,16S)-4,13-diacetyloxy-1-hydroxy-16-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-15,18,18-trimethyl-12-oxo-6-oxapentacyclo[12.3.1.03,11.04,7.09,11]octadec-14-en-2-yl] benzoate;dihydrate
Also Known As: Larotaxel dihydrate, Larotaxel, Larotaxel (dihydrate), RPR-109881A, RPR 109881A
| Molecular Formula | C45H57NO16 |
|---|---|
| Molecular Weight | 867.37 g/mol |
| LogP | 2.8201 |
| Topological Polar Surface Area | 273.29 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 9 |
| Exact Mass | 867.36774 |
| Heavy Atoms | 62 |
| Complexity | 2115.2634 |
Chemical Identifiers
| CAS Number | 192573-38-9 |
|---|---|
| SMILES | CC1=C2[C@H](C(=O)[C@]34C[C@H]3C[C@@H]5[C@]([C@H]4[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C6=CC=CC=C6)NC(=O)OC(C)(C)C)O)O)OC(=O)C7=CC=CC=C7)(CO5)OC(=O)C)OC(=O)C.O.O |
Product Overview
Larotaxel dihydrate (CAS 192573-38-9), with molecular formula C45H57NO16 and molecular weight 867.37 g/mol. IUPAC: [(1S,2S,3R,4S,7R,9S,11R,13R,16S)-4,13-diacetyloxy-1-hydroxy-16-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-15,18,18-trimethyl-12-oxo-6-oxapentacyclo[12.3.1.03,11.04,7.09,11]octadec-14-en-2-yl] benzoate;dihydrate.
Chemical Property Profile of Larotaxel dihydrate
Property Insights of Larotaxel dihydrate
The XLogP value of 2.8201 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Larotaxel dihydrate. The TPSA of 273.29 Ų indicates high polarity, suggesting Larotaxel dihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Larotaxel dihydrate has 3 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Larotaxel dihydrate?
The CAS number of Larotaxel dihydrate is 192573-38-9.
What is the molecular formula of Larotaxel dihydrate?
The molecular formula of Larotaxel dihydrate is C45H57NO16.
What is the molecular weight of Larotaxel dihydrate?
The molecular weight of Larotaxel dihydrate is 867.37 g/mol.
Where can I buy Larotaxel dihydrate?
You can request a quote for Larotaxel dihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Larotaxel dihydrate?
Yes, KEHONG BIO provides custom synthesis services for Larotaxel dihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.