![2-{1-[2-(cyclohex-1-en-1-yl)ethyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 2-methanesulfinylbenzoate structure](/static/products/956/956765-08-5.png)
2-{1-[2-(cyclohex-1-en-1-yl)ethyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 2-methanesulfinylbenzoate
TL;DR: 2-{1-[2-(cyclohex-1-en-1-yl)ethyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 2-methanesulfinylbenzoate (CAS 956765-08-5) is a chemical compound with molecular formula C24H29NO4S and molecular weight 427.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[1-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-methylsulfinylbenzoate
Also Known As: 2-{1-[2-(cyclohex-1-en-1-yl)ethyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 2-methanesulfinylbenzoate, [2-[1-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-methylsulfinylbenzoate, 2-{1-[2-(cyclohex-1-en-1-yl)ethyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl2-methanesulfinylbenzoate, 2-{1-[2-(cyclohex-1-en-1-yl)ethyl]-2,5-dimethylpyrrol-3-yl}-2-oxoethyl 2-methanesulfinylbenzoate
| Molecular Formula | C24H29NO4S |
|---|---|
| Molecular Weight | 427.18 g/mol |
| LogP | 4.77254 |
| Topological Polar Surface Area | 65.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 427.18173 |
| Heavy Atoms | 30 |
| Complexity | 1002.63 |
Chemical Identifiers
| CAS Number | 956765-08-5 |
|---|---|
| SMILES | CC1=CC(=C(N1CCC2=CCCCC2)C)C(=O)COC(=O)C3=CC=CC=C3S(=O)C |
Product Overview
2-{1-[2-(cyclohex-1-en-1-yl)ethyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 2-methanesulfinylbenzoate (CAS 956765-08-5), with molecular formula C24H29NO4S and molecular weight 427.18 g/mol. IUPAC: [2-[1-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-methylsulfinylbenzoate.
Chemical Property Profile of 2-{1-[2-(cyclohex-1-en-1-yl)ethyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 2-methanesulfinylbenzoate
Property Insights of 2-{1-[2-(cyclohex-1-en-1-yl)ethyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 2-methanesulfinylbenzoate
The XLogP value of 4.77254 indicates that 2-{1-[2-(cyclohex-1-en-1-yl)ethyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 2-methanesulfinylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{1-[2-(cyclohex-1-en-1-yl)ethyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 2-methanesulfinylbenzoate. Following Lipinski's Rule of Five, 2-{1-[2-(cyclohex-1-en-1-yl)ethyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 2-methanesulfinylbenzoate has 0 hydrogen bond donor(s) and 4 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-{1-[2-(cyclohex-1-en-1-yl)ethyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 2-methanesulfinylbenzoate?
The CAS number of 2-{1-[2-(cyclohex-1-en-1-yl)ethyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 2-methanesulfinylbenzoate is 956765-08-5.
What is the molecular formula of 2-{1-[2-(cyclohex-1-en-1-yl)ethyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 2-methanesulfinylbenzoate?
The molecular formula of 2-{1-[2-(cyclohex-1-en-1-yl)ethyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 2-methanesulfinylbenzoate is C24H29NO4S.
What is the molecular weight of 2-{1-[2-(cyclohex-1-en-1-yl)ethyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 2-methanesulfinylbenzoate?
The molecular weight of 2-{1-[2-(cyclohex-1-en-1-yl)ethyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 2-methanesulfinylbenzoate is 427.18 g/mol.
Where can I buy 2-{1-[2-(cyclohex-1-en-1-yl)ethyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 2-methanesulfinylbenzoate?
You can request a quote for 2-{1-[2-(cyclohex-1-en-1-yl)ethyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 2-methanesulfinylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{1-[2-(cyclohex-1-en-1-yl)ethyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 2-methanesulfinylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-{1-[2-(cyclohex-1-en-1-yl)ethyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 2-methanesulfinylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.