![[6-Chloro-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] 4-nitrobenzoate structure](/static/products/7062/70629-82-2.webp)
[6-Chloro-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] 4-nitrobenzoate
TL;DR: [6-Chloro-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] 4-nitrobenzoate (CAS 70629-82-2) is a chemical compound with molecular formula C15H14ClF3N2O6 and molecular weight 410.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-chloro-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] 4-nitrobenzoate
Also Known As: [6-chloro-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] 4-nitrobenzoate|2,3,6-Trideoxy-4-O-(4-nitrobenzoyl)-3-(2,2,2-trifluoroacetamido)hexopyranosyl chloride
| Molecular Formula | C15H14ClF3N2O6 |
|---|---|
| Molecular Weight | 410.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.04926 |
| Heavy Atoms | 27 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 70629-82-2 |
|---|---|
| SMILES | CC1C(C(CC(O1)Cl)NC(=O)C(F)(F)F)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | OTACEVQPAKEQEB-UHFFFAOYSA-N |
Product Overview
[6-Chloro-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] 4-nitrobenzoate (CAS 70629-82-2), with molecular formula C15H14ClF3N2O6 and molecular weight 410.05 g/mol. IUPAC: [6-chloro-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] 4-nitrobenzoate.
Chemical Property Profile of [6-Chloro-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] 4-nitrobenzoate
Property Insights of [6-Chloro-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] 4-nitrobenzoate
The XLogP value of 3.3 indicates that [6-Chloro-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [6-Chloro-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] 4-nitrobenzoate. Following Lipinski's Rule of Five, [6-Chloro-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] 4-nitrobenzoate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [6-Chloro-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] 4-nitrobenzoate?
The CAS number of [6-Chloro-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] 4-nitrobenzoate is 70629-82-2.
What is the molecular formula of [6-Chloro-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] 4-nitrobenzoate?
The molecular formula of [6-Chloro-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] 4-nitrobenzoate is C15H14ClF3N2O6.
What is the molecular weight of [6-Chloro-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] 4-nitrobenzoate?
The molecular weight of [6-Chloro-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] 4-nitrobenzoate is 410.05 g/mol.
Where can I buy [6-Chloro-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] 4-nitrobenzoate?
You can request a quote for [6-Chloro-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [6-Chloro-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [6-Chloro-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.