![[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate structure](/static/products/802/802959-56-4.png)
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
TL;DR: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate (CAS 802959-56-4) is a chemical compound with molecular formula C22H25ClN2O6S and molecular weight 480.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
Also Known As: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
| Molecular Formula | C22H25ClN2O6S |
|---|---|
| Molecular Weight | 480.11 g/mol |
| LogP | 3.70184 |
| Topological Polar Surface Area | 113.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 480.11218 |
| Heavy Atoms | 32 |
| Complexity | 1179.2682 |
Chemical Identifiers
| CAS Number | 802959-56-4 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl |
Product Overview
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate (CAS 802959-56-4), with molecular formula C22H25ClN2O6S and molecular weight 480.11 g/mol. IUPAC: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate.
Chemical Property Profile of [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
Property Insights of [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
The XLogP value of 3.70184 indicates that [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.61 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate. Following Lipinski's Rule of Five, [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate has 1 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-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate?
The CAS number of [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate is 802959-56-4.
What is the molecular formula of [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate?
The molecular formula of [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate is C22H25ClN2O6S.
What is the molecular weight of [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate?
The molecular weight of [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate is 480.11 g/mol.
Where can I buy [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate?
You can request a quote for [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.