![Ethyl 4-{[N-(benzenesulfonyl)-N-(3-bromophenyl)glycyl]amino}benzoate structure](/static/products/6199/6199-17-3.webp)
Ethyl 4-{[N-(benzenesulfonyl)-N-(3-bromophenyl)glycyl]amino}benzoate
TL;DR: Ethyl 4-{[N-(benzenesulfonyl)-N-(3-bromophenyl)glycyl]amino}benzoate (CAS 6199-17-3) is a chemical compound with molecular formula C23H21BrN2O5S and molecular weight 516.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[N-(benzenesulfonyl)-3-bromoanilino]acetyl]amino]benzoate
Also Known As: BIM-0009985.P001, Ethyl 4-{[N-(benzenesulfonyl)-N-(3-bromophenyl)glycyl]amino}benzoate, ethyl 4-[[2-[N-(benzenesulfonyl)-3-bromoanilino]acetyl]amino]benzoate, ethyl 4-{[N-(3-bromophenyl)-N-(phenylsulfonyl)glycyl]amino}benzoate
| Molecular Formula | C23H21BrN2O5S |
|---|---|
| Molecular Weight | 516.04 g/mol |
| LogP | 4.4598 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 516.03546 |
| Heavy Atoms | 32 |
| Complexity | 1198.571 |
Chemical Identifiers
| CAS Number | 6199-17-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=CC=C3 |
Product Overview
Ethyl 4-{[N-(benzenesulfonyl)-N-(3-bromophenyl)glycyl]amino}benzoate (CAS 6199-17-3), with molecular formula C23H21BrN2O5S and molecular weight 516.04 g/mol. IUPAC: ethyl 4-[[2-[N-(benzenesulfonyl)-3-bromoanilino]acetyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-{[N-(benzenesulfonyl)-N-(3-bromophenyl)glycyl]amino}benzoate
Property Insights of Ethyl 4-{[N-(benzenesulfonyl)-N-(3-bromophenyl)glycyl]amino}benzoate
The XLogP value of 4.4598 indicates that Ethyl 4-{[N-(benzenesulfonyl)-N-(3-bromophenyl)glycyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{[N-(benzenesulfonyl)-N-(3-bromophenyl)glycyl]amino}benzoate. Following Lipinski's Rule of Five, Ethyl 4-{[N-(benzenesulfonyl)-N-(3-bromophenyl)glycyl]amino}benzoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-{[N-(benzenesulfonyl)-N-(3-bromophenyl)glycyl]amino}benzoate?
The CAS number of Ethyl 4-{[N-(benzenesulfonyl)-N-(3-bromophenyl)glycyl]amino}benzoate is 6199-17-3.
What is the molecular formula of Ethyl 4-{[N-(benzenesulfonyl)-N-(3-bromophenyl)glycyl]amino}benzoate?
The molecular formula of Ethyl 4-{[N-(benzenesulfonyl)-N-(3-bromophenyl)glycyl]amino}benzoate is C23H21BrN2O5S.
What is the molecular weight of Ethyl 4-{[N-(benzenesulfonyl)-N-(3-bromophenyl)glycyl]amino}benzoate?
The molecular weight of Ethyl 4-{[N-(benzenesulfonyl)-N-(3-bromophenyl)glycyl]amino}benzoate is 516.04 g/mol.
Where can I buy Ethyl 4-{[N-(benzenesulfonyl)-N-(3-bromophenyl)glycyl]amino}benzoate?
You can request a quote for Ethyl 4-{[N-(benzenesulfonyl)-N-(3-bromophenyl)glycyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-{[N-(benzenesulfonyl)-N-(3-bromophenyl)glycyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[N-(benzenesulfonyl)-N-(3-bromophenyl)glycyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.