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[2-(2-Bromoanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate
TL;DR: [2-(2-Bromoanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate (CAS 438600-33-0) is a chemical compound with molecular formula C19H19BrN2O6S and molecular weight 482.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-bromoanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate
Also Known As: [2-(2-bromoanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate, 2-(2-Bromoanilino)-2-oxoethyl 2-hydroxy-5-(pyrrolidine-1-sulfonyl)benzoate
| Molecular Formula | C19H19BrN2O6S |
|---|---|
| Molecular Weight | 482.01 g/mol |
| LogP | 2.7347 |
| Topological Polar Surface Area | 113.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 482.0147 |
| Heavy Atoms | 29 |
| Complexity | 1034.7449 |
Chemical Identifiers
| CAS Number | 438600-33-0 |
|---|---|
| SMILES | C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)C(=O)OCC(=O)NC3=CC=CC=C3Br |
Product Overview
[2-(2-Bromoanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate (CAS 438600-33-0), with molecular formula C19H19BrN2O6S and molecular weight 482.01 g/mol. IUPAC: [2-(2-bromoanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate.
Chemical Property Profile of [2-(2-Bromoanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate
Property Insights of [2-(2-Bromoanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate
The XLogP value of 2.7347 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(2-Bromoanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate. The TPSA of 113.01 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(2-Bromoanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate. Following Lipinski's Rule of Five, [2-(2-Bromoanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate has 2 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-(2-Bromoanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate?
The CAS number of [2-(2-Bromoanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate is 438600-33-0.
What is the molecular formula of [2-(2-Bromoanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate?
The molecular formula of [2-(2-Bromoanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate is C19H19BrN2O6S.
What is the molecular weight of [2-(2-Bromoanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate?
The molecular weight of [2-(2-Bromoanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate is 482.01 g/mol.
Where can I buy [2-(2-Bromoanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate?
You can request a quote for [2-(2-Bromoanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-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-(2-Bromoanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-(2-Bromoanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.