Canosimibe
TL;DR: Canosimibe (CAS 768394-99-6) is a chemical compound with molecular formula C44H60FN3O10 and molecular weight 809.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-[(2S,3R)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]phenyl]methyl]-N'-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]dodecanediamide
Also Known As: Canosimibe, Canosimiba, Canosimibum, Canosimibe [INN], N-(1-deoxy-L-glucitol-1-C-yl)-N'-((4-{(2S,3R))-3-((3S)-3-(4-fluorophenyl)-3-hydroxypropyl)-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl}phenyl)methyl)dodecanediamide
| Molecular Formula | C44H60FN3O10 |
|---|---|
| Molecular Weight | 809.43 g/mol |
| LogP | 4.1215 |
| Topological Polar Surface Area | 209.12 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 26 |
| Exact Mass | 809.4263 |
| Heavy Atoms | 58 |
| Complexity | 1695.115 |
Chemical Identifiers
| CAS Number | 768394-99-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)CNC(=O)CCCCCCCCCCC(=O)NC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)CC[C@@H](C4=CC=C(C=C4)F)O |
Product Overview
Canosimibe (CAS 768394-99-6), with molecular formula C44H60FN3O10 and molecular weight 809.43 g/mol. IUPAC: N-[[4-[(2S,3R)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]phenyl]methyl]-N'-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]dodecanediamide.
Chemical Property Profile of Canosimibe
Property Insights of Canosimibe
The XLogP value of 4.1215 indicates that Canosimibe is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 209.12 Ų indicates high polarity, suggesting Canosimibe may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Canosimibe has 8 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Canosimibe?
The CAS number of Canosimibe is 768394-99-6.
What is the molecular formula of Canosimibe?
The molecular formula of Canosimibe is C44H60FN3O10.
What is the molecular weight of Canosimibe?
The molecular weight of Canosimibe is 809.43 g/mol.
Where can I buy Canosimibe?
You can request a quote for Canosimibe directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Canosimibe?
Yes, KEHONG BIO provides custom synthesis services for Canosimibe and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.