![methyl (3-benzyl-5-{2-[(4-bromophenyl)amino]-2-oxoethyl}-4-oxo-2-thioxo-1-imidazolidinyl)acetate structure](/static/products/1023/1023919-74-5.webp)
methyl (3-benzyl-5-{2-[(4-bromophenyl)amino]-2-oxoethyl}-4-oxo-2-thioxo-1-imidazolidinyl)acetate
TL;DR: methyl (3-benzyl-5-{2-[(4-bromophenyl)amino]-2-oxoethyl}-4-oxo-2-thioxo-1-imidazolidinyl)acetate (CAS 1023919-74-5) is a chemical compound with molecular formula C21H20BrN3O4S and molecular weight 489.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-benzyl-5-[2-(4-bromoanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate
Also Known As: methyl (3-benzyl-5-{2-[(4-bromophenyl)amino]-2-oxoethyl}-4-oxo-2-thioxo-1-imidazolidinyl)acetate, methyl (3-benzyl-5-{2-[(4-bromophenyl)amino]-2-oxoethyl}-4-oxo-2-thioxoimidazolidin-1-yl)acetate, methyl 2-[3-benzyl-5-[2-(4-bromoanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate, 2-[3-benzyl-5-[2-(4-bromoanilino)-2-keto-ethyl]-4-keto-2-thioxo-imidazolidin-1-yl]acetic acid methyl ester, 2-[5-[2-(4-bromoanilino)-2-oxoethyl]-4-oxo-3-(phenylmethyl)-2-sulfanylidene-1-imidazolidinyl]acetic acid methyl ester
| Molecular Formula | C21H20BrN3O4S |
|---|---|
| Molecular Weight | 489.04 g/mol |
| LogP | 2.9486 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.0358 |
| Heavy Atoms | 30 |
| Complexity | 952.48364 |
Chemical Identifiers
| CAS Number | 1023919-74-5 |
|---|---|
| SMILES | COC(=O)CN1C(C(=O)N(C1=S)CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)Br |
Product Overview
methyl (3-benzyl-5-{2-[(4-bromophenyl)amino]-2-oxoethyl}-4-oxo-2-thioxo-1-imidazolidinyl)acetate (CAS 1023919-74-5), with molecular formula C21H20BrN3O4S and molecular weight 489.04 g/mol. IUPAC: methyl 2-[3-benzyl-5-[2-(4-bromoanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate.
Chemical Property Profile of methyl (3-benzyl-5-{2-[(4-bromophenyl)amino]-2-oxoethyl}-4-oxo-2-thioxo-1-imidazolidinyl)acetate
Property Insights of methyl (3-benzyl-5-{2-[(4-bromophenyl)amino]-2-oxoethyl}-4-oxo-2-thioxo-1-imidazolidinyl)acetate
The XLogP value of 2.9486 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (3-benzyl-5-{2-[(4-bromophenyl)amino]-2-oxoethyl}-4-oxo-2-thioxo-1-imidazolidinyl)acetate. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (3-benzyl-5-{2-[(4-bromophenyl)amino]-2-oxoethyl}-4-oxo-2-thioxo-1-imidazolidinyl)acetate. Following Lipinski's Rule of Five, methyl (3-benzyl-5-{2-[(4-bromophenyl)amino]-2-oxoethyl}-4-oxo-2-thioxo-1-imidazolidinyl)acetate 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 methyl (3-benzyl-5-{2-[(4-bromophenyl)amino]-2-oxoethyl}-4-oxo-2-thioxo-1-imidazolidinyl)acetate?
The CAS number of methyl (3-benzyl-5-{2-[(4-bromophenyl)amino]-2-oxoethyl}-4-oxo-2-thioxo-1-imidazolidinyl)acetate is 1023919-74-5.
What is the molecular formula of methyl (3-benzyl-5-{2-[(4-bromophenyl)amino]-2-oxoethyl}-4-oxo-2-thioxo-1-imidazolidinyl)acetate?
The molecular formula of methyl (3-benzyl-5-{2-[(4-bromophenyl)amino]-2-oxoethyl}-4-oxo-2-thioxo-1-imidazolidinyl)acetate is C21H20BrN3O4S.
What is the molecular weight of methyl (3-benzyl-5-{2-[(4-bromophenyl)amino]-2-oxoethyl}-4-oxo-2-thioxo-1-imidazolidinyl)acetate?
The molecular weight of methyl (3-benzyl-5-{2-[(4-bromophenyl)amino]-2-oxoethyl}-4-oxo-2-thioxo-1-imidazolidinyl)acetate is 489.04 g/mol.
Where can I buy methyl (3-benzyl-5-{2-[(4-bromophenyl)amino]-2-oxoethyl}-4-oxo-2-thioxo-1-imidazolidinyl)acetate?
You can request a quote for methyl (3-benzyl-5-{2-[(4-bromophenyl)amino]-2-oxoethyl}-4-oxo-2-thioxo-1-imidazolidinyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (3-benzyl-5-{2-[(4-bromophenyl)amino]-2-oxoethyl}-4-oxo-2-thioxo-1-imidazolidinyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl (3-benzyl-5-{2-[(4-bromophenyl)amino]-2-oxoethyl}-4-oxo-2-thioxo-1-imidazolidinyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.