![3-[3-(4-Bromophenyl)-2-thioxoimidazolidin-1-yl]propanoic acid structure](/static/products/1454/145412-64-2.webp)
3-[3-(4-Bromophenyl)-2-thioxoimidazolidin-1-yl]propanoic acid
TL;DR: 3-[3-(4-Bromophenyl)-2-thioxoimidazolidin-1-yl]propanoic acid (CAS 145412-64-2) is a chemical compound with molecular formula C12H13BrN2O2S and molecular weight 327.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(4-bromophenyl)-2-sulfanylideneimidazolidin-1-yl]propanoic acid
Also Known As: 3-[3-(4-bromophenyl)-2-thioxoimidazolidin-1-yl]propanoic acid, 3-(4-Bromophenyl)-2-thioxo-1-imidazolidinepropanoic acid, 3-[3-(4-bromophenyl)-2-sulfanylideneimidazolidin-1-yl]propanoic acid, 3-[3-(4-bromophenyl)-2-thioxo-1-imidazolidinyl]propanoic acid, 3-[3-(4-bromophenyl)-2-sulfanylidene-imidazolidin-1-yl]propanoic Acid
| Molecular Formula | C12H13BrN2O2S |
|---|---|
| Molecular Weight | 327.99 g/mol |
| LogP | 2.3307 |
| Topological Polar Surface Area | 43.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.9881 |
| Heavy Atoms | 18 |
| Complexity | 463.65015 |
Chemical Identifiers
| CAS Number | 145412-64-2 |
|---|---|
| SMILES | C1CN(C(=S)N1CCC(=O)O)C2=CC=C(C=C2)Br |
Product Overview
3-[3-(4-Bromophenyl)-2-thioxoimidazolidin-1-yl]propanoic acid (CAS 145412-64-2), with molecular formula C12H13BrN2O2S and molecular weight 327.99 g/mol. IUPAC: 3-[3-(4-bromophenyl)-2-sulfanylideneimidazolidin-1-yl]propanoic acid.
Chemical Property Profile of 3-[3-(4-Bromophenyl)-2-thioxoimidazolidin-1-yl]propanoic acid
Property Insights of 3-[3-(4-Bromophenyl)-2-thioxoimidazolidin-1-yl]propanoic acid
The XLogP value of 2.3307 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[3-(4-Bromophenyl)-2-thioxoimidazolidin-1-yl]propanoic acid. With a topological polar surface area (TPSA) of 43.78 Ų, 3-[3-(4-Bromophenyl)-2-thioxoimidazolidin-1-yl]propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[3-(4-Bromophenyl)-2-thioxoimidazolidin-1-yl]propanoic acid has 1 hydrogen bond donor(s) and 2 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 3-[3-(4-Bromophenyl)-2-thioxoimidazolidin-1-yl]propanoic acid?
The CAS number of 3-[3-(4-Bromophenyl)-2-thioxoimidazolidin-1-yl]propanoic acid is 145412-64-2.
What is the molecular formula of 3-[3-(4-Bromophenyl)-2-thioxoimidazolidin-1-yl]propanoic acid?
The molecular formula of 3-[3-(4-Bromophenyl)-2-thioxoimidazolidin-1-yl]propanoic acid is C12H13BrN2O2S.
What is the molecular weight of 3-[3-(4-Bromophenyl)-2-thioxoimidazolidin-1-yl]propanoic acid?
The molecular weight of 3-[3-(4-Bromophenyl)-2-thioxoimidazolidin-1-yl]propanoic acid is 327.99 g/mol.
Where can I buy 3-[3-(4-Bromophenyl)-2-thioxoimidazolidin-1-yl]propanoic acid?
You can request a quote for 3-[3-(4-Bromophenyl)-2-thioxoimidazolidin-1-yl]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3-(4-Bromophenyl)-2-thioxoimidazolidin-1-yl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(4-Bromophenyl)-2-thioxoimidazolidin-1-yl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.