![[2-(Azepan-1-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate structure](/static/products/3803/380337-99-5.webp)
[2-(Azepan-1-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
TL;DR: [2-(Azepan-1-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate (CAS 380337-99-5) is a chemical compound with molecular formula C21H30N2O6S and molecular weight 438.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(azepan-1-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
Also Known As: [2-(azepan-1-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate, 2-(Azepan-1-yl)-2-oxoethyl 3-(2,6-dimethylmorpholine-4-sulfonyl)benzoate, [2-(azepan-1-yl)-2-oxo-ethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
| Molecular Formula | C21H30N2O6S |
|---|---|
| Molecular Weight | 438.18 g/mol |
| LogP | 2.0439 |
| Topological Polar Surface Area | 93.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.18246 |
| Heavy Atoms | 30 |
| Complexity | 854.0025 |
Chemical Identifiers
| CAS Number | 380337-99-5 |
|---|---|
| SMILES | CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N3CCCCCC3 |
Product Overview
[2-(Azepan-1-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate (CAS 380337-99-5), with molecular formula C21H30N2O6S and molecular weight 438.18 g/mol. IUPAC: [2-(azepan-1-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate.
Chemical Property Profile of [2-(Azepan-1-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
Property Insights of [2-(Azepan-1-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
The XLogP value of 2.0439 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(Azepan-1-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate. The TPSA of 93.22 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(Azepan-1-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate. Following Lipinski's Rule of Five, [2-(Azepan-1-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate has 0 hydrogen bond donor(s) and 6 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 [2-(Azepan-1-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate?
The CAS number of [2-(Azepan-1-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate is 380337-99-5.
What is the molecular formula of [2-(Azepan-1-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate?
The molecular formula of [2-(Azepan-1-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate is C21H30N2O6S.
What is the molecular weight of [2-(Azepan-1-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate?
The molecular weight of [2-(Azepan-1-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate is 438.18 g/mol.
Where can I buy [2-(Azepan-1-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate?
You can request a quote for [2-(Azepan-1-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(Azepan-1-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-(Azepan-1-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.