![N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{[3-(2,5-difluorobenzenesulfonyl)-1,3-oxazinan-2-yl]methyl}ethanediamide structure](/static/products/872/872976-61-9.png)
N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{[3-(2,5-difluorobenzenesulfonyl)-1,3-oxazinan-2-yl]methyl}ethanediamide
TL;DR: N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{[3-(2,5-difluorobenzenesulfonyl)-1,3-oxazinan-2-yl]methyl}ethanediamide (CAS 872976-61-9) is a chemical compound with molecular formula C21H27F2N3O5S and molecular weight 471.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(cyclohexen-1-yl)ethyl]-N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
Also Known As: N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{[3-(2,5-difluorobenzenesulfonyl)-1,3-oxazinan-2-yl]methyl}ethanediamide, N-[2-(cyclohexen-1-yl)ethyl]-N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide, N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-((3-((2,5-difluorophenyl)sulfonyl)-1,3-oxazinan-2-yl)methyl)oxalamide, N'-[2-(1-cyclohexenyl)ethyl]-N-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
| Molecular Formula | C21H27F2N3O5S |
|---|---|
| Molecular Weight | 471.16 g/mol |
| LogP | 1.8248 |
| Topological Polar Surface Area | 104.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 471.16394 |
| Heavy Atoms | 32 |
| Complexity | 983.6473 |
Chemical Identifiers
| CAS Number | 872976-61-9 |
|---|---|
| SMILES | C1CCC(=CC1)CCNC(=O)C(=O)NCC2N(CCCO2)S(=O)(=O)C3=C(C=CC(=C3)F)F |
Product Overview
N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{[3-(2,5-difluorobenzenesulfonyl)-1,3-oxazinan-2-yl]methyl}ethanediamide (CAS 872976-61-9), with molecular formula C21H27F2N3O5S and molecular weight 471.16 g/mol. IUPAC: N-[2-(cyclohexen-1-yl)ethyl]-N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide.
Chemical Property Profile of N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{[3-(2,5-difluorobenzenesulfonyl)-1,3-oxazinan-2-yl]methyl}ethanediamide
Property Insights of N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{[3-(2,5-difluorobenzenesulfonyl)-1,3-oxazinan-2-yl]methyl}ethanediamide
The XLogP value of 1.8248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{[3-(2,5-difluorobenzenesulfonyl)-1,3-oxazinan-2-yl]methyl}ethanediamide. The TPSA of 104.81 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{[3-(2,5-difluorobenzenesulfonyl)-1,3-oxazinan-2-yl]methyl}ethanediamide. Following Lipinski's Rule of Five, N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{[3-(2,5-difluorobenzenesulfonyl)-1,3-oxazinan-2-yl]methyl}ethanediamide has 2 hydrogen bond donor(s) and 5 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 N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{[3-(2,5-difluorobenzenesulfonyl)-1,3-oxazinan-2-yl]methyl}ethanediamide?
The CAS number of N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{[3-(2,5-difluorobenzenesulfonyl)-1,3-oxazinan-2-yl]methyl}ethanediamide is 872976-61-9.
What is the molecular formula of N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{[3-(2,5-difluorobenzenesulfonyl)-1,3-oxazinan-2-yl]methyl}ethanediamide?
The molecular formula of N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{[3-(2,5-difluorobenzenesulfonyl)-1,3-oxazinan-2-yl]methyl}ethanediamide is C21H27F2N3O5S.
What is the molecular weight of N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{[3-(2,5-difluorobenzenesulfonyl)-1,3-oxazinan-2-yl]methyl}ethanediamide?
The molecular weight of N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{[3-(2,5-difluorobenzenesulfonyl)-1,3-oxazinan-2-yl]methyl}ethanediamide is 471.16 g/mol.
Where can I buy N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{[3-(2,5-difluorobenzenesulfonyl)-1,3-oxazinan-2-yl]methyl}ethanediamide?
You can request a quote for N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{[3-(2,5-difluorobenzenesulfonyl)-1,3-oxazinan-2-yl]methyl}ethanediamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{[3-(2,5-difluorobenzenesulfonyl)-1,3-oxazinan-2-yl]methyl}ethanediamide?
Yes, KEHONG BIO provides custom synthesis services for N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{[3-(2,5-difluorobenzenesulfonyl)-1,3-oxazinan-2-yl]methyl}ethanediamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.