![[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate structure](/static/products/956/956049-08-4.png)
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
TL;DR: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate (CAS 956049-08-4) is a chemical compound with molecular formula C21H22N2O7S and molecular weight 446.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
Also Known As: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate|2-[(2H-1,3-Benzodioxol-5-yl)amino]-2-oxoethyl 1-(4-methylbenzene-1-sulfonyl)-L-prolinate|MLS002245354|SMR001309007
| Molecular Formula | C21H22N2O7S |
|---|---|
| Molecular Weight | 446.11 g/mol |
| LogP | 2.05872 |
| Topological Polar Surface Area | 111.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.11478 |
| Heavy Atoms | 31 |
| Complexity | 1099.2114 |
Chemical Identifiers
| CAS Number | 956049-08-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4 |
Product Overview
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate (CAS 956049-08-4), with molecular formula C21H22N2O7S and molecular weight 446.11 g/mol. IUPAC: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate.
Chemical Property Profile of [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
Property Insights of [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
The XLogP value of 2.05872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate. The TPSA of 111.24 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate. Following Lipinski's Rule of Five, [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate has 1 hydrogen bond donor(s) and 7 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-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate?
The CAS number of [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate is 956049-08-4.
What is the molecular formula of [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate?
The molecular formula of [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate is C21H22N2O7S.
What is the molecular weight of [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate?
The molecular weight of [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate is 446.11 g/mol.
Where can I buy [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate?
You can request a quote for [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.