2-N-(4-(1-azitrifluoroethyl)benzoyl)-1,3-bis-(mannos-4-yloxy)-2-propylamine
TL;DR: 2-N-(4-(1-azitrifluoroethyl)benzoyl)-1,3-bis-(mannos-4-yloxy)-2-propylamine (CAS 129461-18-3) is a chemical compound with molecular formula C24H32F3N3O13 and molecular weight 627.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1,3-bis[[(2R,3R,4R,5S)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy]propan-2-yl]-4-[3-(trifluoromethyl)diazirin-3-yl]benzamide
Also Known As: Atb-bmpa, N-[1,3-bis[[(2R,3R,4R,5S)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy]propan-2-yl]-4-[3-(trifluoromethyl)diazirin-3-yl]benzamide, 2-N-[4-(1-Azitrifluoroethyl)benzoyl]-1,3-bis-(D-mannos -4-yloxy)-2-propylamine, 2-N-[4-(1-Azitrifluoroethyl)benzoyl]-1,3-bis-(D-mannos-4-yloxy)-2-propylamine, 2-N-(4-(1-azitrifluoroethyl)benzoyl)-1,3-bis-(mannos-4-yloxy)-2-propylamine
| Molecular Formula | C24H32F3N3O13 |
|---|---|
| Molecular Weight | 627.19 g/mol |
| LogP | -4.0 |
| Topological Polar Surface Area | 268.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 19 |
| Exact Mass | 627.1887 |
| Heavy Atoms | 43 |
| Complexity | 894.0 |
Chemical Identifiers
| CAS Number | 129461-18-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC(CO[C@H]([C@@H](CO)O)[C@@H]([C@@H](C=O)O)O)CO[C@H]([C@@H](CO)O)[C@@H]([C@@H](C=O)O)O)C2(N=N2)C(F)(F)F |
| InChIKey | BNNTXNQYYMQOJE-SHFKJJOWSA-N |
Product Overview
2-N-(4-(1-azitrifluoroethyl)benzoyl)-1,3-bis-(mannos-4-yloxy)-2-propylamine (CAS 129461-18-3), with molecular formula C24H32F3N3O13 and molecular weight 627.19 g/mol. IUPAC: N-[1,3-bis[[(2R,3R,4R,5S)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy]propan-2-yl]-4-[3-(trifluoromethyl)diazirin-3-yl]benzamide.
Chemical Property Profile of 2-N-(4-(1-azitrifluoroethyl)benzoyl)-1,3-bis-(mannos-4-yloxy)-2-propylamine
Property Insights of 2-N-(4-(1-azitrifluoroethyl)benzoyl)-1,3-bis-(mannos-4-yloxy)-2-propylamine
The XLogP value of -4.0 indicates that 2-N-(4-(1-azitrifluoroethyl)benzoyl)-1,3-bis-(mannos-4-yloxy)-2-propylamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 268.0 Ų indicates high polarity, suggesting 2-N-(4-(1-azitrifluoroethyl)benzoyl)-1,3-bis-(mannos-4-yloxy)-2-propylamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-N-(4-(1-azitrifluoroethyl)benzoyl)-1,3-bis-(mannos-4-yloxy)-2-propylamine has 9 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-N-(4-(1-azitrifluoroethyl)benzoyl)-1,3-bis-(mannos-4-yloxy)-2-propylamine?
The CAS number of 2-N-(4-(1-azitrifluoroethyl)benzoyl)-1,3-bis-(mannos-4-yloxy)-2-propylamine is 129461-18-3.
What is the molecular formula of 2-N-(4-(1-azitrifluoroethyl)benzoyl)-1,3-bis-(mannos-4-yloxy)-2-propylamine?
The molecular formula of 2-N-(4-(1-azitrifluoroethyl)benzoyl)-1,3-bis-(mannos-4-yloxy)-2-propylamine is C24H32F3N3O13.
What is the molecular weight of 2-N-(4-(1-azitrifluoroethyl)benzoyl)-1,3-bis-(mannos-4-yloxy)-2-propylamine?
The molecular weight of 2-N-(4-(1-azitrifluoroethyl)benzoyl)-1,3-bis-(mannos-4-yloxy)-2-propylamine is 627.19 g/mol.
Where can I buy 2-N-(4-(1-azitrifluoroethyl)benzoyl)-1,3-bis-(mannos-4-yloxy)-2-propylamine?
You can request a quote for 2-N-(4-(1-azitrifluoroethyl)benzoyl)-1,3-bis-(mannos-4-yloxy)-2-propylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-N-(4-(1-azitrifluoroethyl)benzoyl)-1,3-bis-(mannos-4-yloxy)-2-propylamine?
Yes, KEHONG BIO provides custom synthesis services for 2-N-(4-(1-azitrifluoroethyl)benzoyl)-1,3-bis-(mannos-4-yloxy)-2-propylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.