![[2-(Benzylamino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate structure](/static/products/3805/380567-75-9.webp)
[2-(Benzylamino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
TL;DR: [2-(Benzylamino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate (CAS 380567-75-9) is a chemical compound with molecular formula C20H21ClN2O5S and molecular weight 436.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(benzylamino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
Also Known As: [2-(benzylamino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate, 2-(Benzylamino)-2-oxoethyl 4-chloro-3-(pyrrolidine-1-sulfonyl)benzoate
| Molecular Formula | C20H21ClN2O5S |
|---|---|
| Molecular Weight | 436.09 g/mol |
| LogP | 2.5977 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.08597 |
| Heavy Atoms | 29 |
| Complexity | 989.1861 |
Chemical Identifiers
| CAS Number | 380567-75-9 |
|---|---|
| SMILES | C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NCC3=CC=CC=C3)Cl |
Product Overview
[2-(Benzylamino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate (CAS 380567-75-9), with molecular formula C20H21ClN2O5S and molecular weight 436.09 g/mol. IUPAC: [2-(benzylamino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate.
Chemical Property Profile of [2-(Benzylamino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
Property Insights of [2-(Benzylamino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
The XLogP value of 2.5977 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(Benzylamino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(Benzylamino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate. Following Lipinski's Rule of Five, [2-(Benzylamino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate 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-(Benzylamino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate?
The CAS number of [2-(Benzylamino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate is 380567-75-9.
What is the molecular formula of [2-(Benzylamino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate?
The molecular formula of [2-(Benzylamino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate is C20H21ClN2O5S.
What is the molecular weight of [2-(Benzylamino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate?
The molecular weight of [2-(Benzylamino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate is 436.09 g/mol.
Where can I buy [2-(Benzylamino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate?
You can request a quote for [2-(Benzylamino)-2-oxoethyl] 4-chloro-3-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-(Benzylamino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-(Benzylamino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.