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Methyl N-(4-bromophenyl)-N-[(4-methylphenyl)sulfonyl]glycinate
TL;DR: Methyl N-(4-bromophenyl)-N-[(4-methylphenyl)sulfonyl]glycinate (CAS 333451-79-9) is a chemical compound with molecular formula C16H16BrNO4S and molecular weight 397.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)acetate
Also Known As: Methyl N-(4-bromophenyl)-N-[(4-methylphenyl)sulfonyl]glycinate, Methyl N-(4-bromophenyl)-N-tosylglycinate, BAS 02192656, methyl 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)acetate, methyl 2-[4-bromo-N-(p-tolylsulfonyl)anilino]acetate
| Molecular Formula | C16H16BrNO4S |
|---|---|
| Molecular Weight | 397.00 g/mol |
| LogP | 3.12582 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.99835 |
| Heavy Atoms | 23 |
| Complexity | 785.8349 |
Chemical Identifiers
| CAS Number | 333451-79-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)OC)C2=CC=C(C=C2)Br |
Product Overview
Methyl N-(4-bromophenyl)-N-[(4-methylphenyl)sulfonyl]glycinate (CAS 333451-79-9), with molecular formula C16H16BrNO4S and molecular weight 397.00 g/mol. IUPAC: methyl 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)acetate.
Chemical Property Profile of Methyl N-(4-bromophenyl)-N-[(4-methylphenyl)sulfonyl]glycinate
Property Insights of Methyl N-(4-bromophenyl)-N-[(4-methylphenyl)sulfonyl]glycinate
The XLogP value of 3.12582 indicates that Methyl N-(4-bromophenyl)-N-[(4-methylphenyl)sulfonyl]glycinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl N-(4-bromophenyl)-N-[(4-methylphenyl)sulfonyl]glycinate. Following Lipinski's Rule of Five, Methyl N-(4-bromophenyl)-N-[(4-methylphenyl)sulfonyl]glycinate has 0 hydrogen bond donor(s) and 4 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 Methyl N-(4-bromophenyl)-N-[(4-methylphenyl)sulfonyl]glycinate?
The CAS number of Methyl N-(4-bromophenyl)-N-[(4-methylphenyl)sulfonyl]glycinate is 333451-79-9.
What is the molecular formula of Methyl N-(4-bromophenyl)-N-[(4-methylphenyl)sulfonyl]glycinate?
The molecular formula of Methyl N-(4-bromophenyl)-N-[(4-methylphenyl)sulfonyl]glycinate is C16H16BrNO4S.
What is the molecular weight of Methyl N-(4-bromophenyl)-N-[(4-methylphenyl)sulfonyl]glycinate?
The molecular weight of Methyl N-(4-bromophenyl)-N-[(4-methylphenyl)sulfonyl]glycinate is 397.00 g/mol.
Where can I buy Methyl N-(4-bromophenyl)-N-[(4-methylphenyl)sulfonyl]glycinate?
You can request a quote for Methyl N-(4-bromophenyl)-N-[(4-methylphenyl)sulfonyl]glycinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N-(4-bromophenyl)-N-[(4-methylphenyl)sulfonyl]glycinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-(4-bromophenyl)-N-[(4-methylphenyl)sulfonyl]glycinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.