![2-(Adamantan-1-yl)-2-oxoethyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate structure](/static/products/794/794541-50-7.png)
2-(Adamantan-1-yl)-2-oxoethyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate
TL;DR: 2-(Adamantan-1-yl)-2-oxoethyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate (CAS 794541-50-7) is a chemical compound with molecular formula C23H29NO5S and molecular weight 431.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1-adamantyl)-2-oxoethyl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
Also Known As: 2-(adamantan-1-yl)-2-oxoethyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate, [2-(1-adamantyl)-2-oxoethyl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
| Molecular Formula | C23H29NO5S |
|---|---|
| Molecular Weight | 431.18 g/mol |
| LogP | 3.21382 |
| Topological Polar Surface Area | 89.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 431.17664 |
| Heavy Atoms | 30 |
| Complexity | 913.02625 |
Chemical Identifiers
| CAS Number | 794541-50-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=C/S(=O)(=O)NCC(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3 |
Product Overview
2-(Adamantan-1-yl)-2-oxoethyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate (CAS 794541-50-7), with molecular formula C23H29NO5S and molecular weight 431.18 g/mol. IUPAC: [2-(1-adamantyl)-2-oxoethyl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate.
Chemical Property Profile of 2-(Adamantan-1-yl)-2-oxoethyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate
Property Insights of 2-(Adamantan-1-yl)-2-oxoethyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate
The XLogP value of 3.21382 indicates that 2-(Adamantan-1-yl)-2-oxoethyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Adamantan-1-yl)-2-oxoethyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate. Following Lipinski's Rule of Five, 2-(Adamantan-1-yl)-2-oxoethyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate has 1 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 2-(Adamantan-1-yl)-2-oxoethyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate?
The CAS number of 2-(Adamantan-1-yl)-2-oxoethyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate is 794541-50-7.
What is the molecular formula of 2-(Adamantan-1-yl)-2-oxoethyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate?
The molecular formula of 2-(Adamantan-1-yl)-2-oxoethyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate is C23H29NO5S.
What is the molecular weight of 2-(Adamantan-1-yl)-2-oxoethyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate?
The molecular weight of 2-(Adamantan-1-yl)-2-oxoethyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate is 431.18 g/mol.
Where can I buy 2-(Adamantan-1-yl)-2-oxoethyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate?
You can request a quote for 2-(Adamantan-1-yl)-2-oxoethyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Adamantan-1-yl)-2-oxoethyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Adamantan-1-yl)-2-oxoethyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.