![N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{[3-(4-methylbenzenesulfonyl)-1,3-oxazinan-2-yl]methyl}ethanediamide structure](/static/products/872/872862-71-0.png)
N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{[3-(4-methylbenzenesulfonyl)-1,3-oxazinan-2-yl]methyl}ethanediamide
TL;DR: N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{[3-(4-methylbenzenesulfonyl)-1,3-oxazinan-2-yl]methyl}ethanediamide (CAS 872862-71-0) is a chemical compound with molecular formula C22H31N3O5S and molecular weight 449.20 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-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
Also Known As: N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{[3-(4-methylbenzenesulfonyl)-1,3-oxazinan-2-yl]methyl}ethanediamide, N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-((3-tosyl-1,3-oxazinan-2-yl)methyl)oxalamide, N-[2-(cyclohexen-1-yl)ethyl]-N'-[[3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
| Molecular Formula | C22H31N3O5S |
|---|---|
| Molecular Weight | 449.20 g/mol |
| LogP | 1.85502 |
| Topological Polar Surface Area | 104.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 449.19846 |
| Heavy Atoms | 31 |
| Complexity | 911.579 |
Chemical Identifiers
| CAS Number | 872862-71-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCCOC2CNC(=O)C(=O)NCCC3=CCCCC3 |
Product Overview
N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{[3-(4-methylbenzenesulfonyl)-1,3-oxazinan-2-yl]methyl}ethanediamide (CAS 872862-71-0), with molecular formula C22H31N3O5S and molecular weight 449.20 g/mol. IUPAC: N-[2-(cyclohexen-1-yl)ethyl]-N'-[[3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide.
Chemical Property Profile of N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{[3-(4-methylbenzenesulfonyl)-1,3-oxazinan-2-yl]methyl}ethanediamide
Property Insights of N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{[3-(4-methylbenzenesulfonyl)-1,3-oxazinan-2-yl]methyl}ethanediamide
The XLogP value of 1.85502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{[3-(4-methylbenzenesulfonyl)-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-(4-methylbenzenesulfonyl)-1,3-oxazinan-2-yl]methyl}ethanediamide. Following Lipinski's Rule of Five, N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{[3-(4-methylbenzenesulfonyl)-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-(4-methylbenzenesulfonyl)-1,3-oxazinan-2-yl]methyl}ethanediamide?
The CAS number of N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{[3-(4-methylbenzenesulfonyl)-1,3-oxazinan-2-yl]methyl}ethanediamide is 872862-71-0.
What is the molecular formula of N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{[3-(4-methylbenzenesulfonyl)-1,3-oxazinan-2-yl]methyl}ethanediamide?
The molecular formula of N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{[3-(4-methylbenzenesulfonyl)-1,3-oxazinan-2-yl]methyl}ethanediamide is C22H31N3O5S.
What is the molecular weight of N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{[3-(4-methylbenzenesulfonyl)-1,3-oxazinan-2-yl]methyl}ethanediamide?
The molecular weight of N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{[3-(4-methylbenzenesulfonyl)-1,3-oxazinan-2-yl]methyl}ethanediamide is 449.20 g/mol.
Where can I buy N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{[3-(4-methylbenzenesulfonyl)-1,3-oxazinan-2-yl]methyl}ethanediamide?
You can request a quote for N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{[3-(4-methylbenzenesulfonyl)-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-(4-methylbenzenesulfonyl)-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-(4-methylbenzenesulfonyl)-1,3-oxazinan-2-yl]methyl}ethanediamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.