![3-({4-[(5-Oxo-2-thioxo-4-imidazolidinylidene)methyl]phenoxy}methyl)benzoic acid structure](/static/products/6201/6201-12-3.webp)
3-({4-[(5-Oxo-2-thioxo-4-imidazolidinylidene)methyl]phenoxy}methyl)benzoic acid
TL;DR: 3-({4-[(5-Oxo-2-thioxo-4-imidazolidinylidene)methyl]phenoxy}methyl)benzoic acid (CAS 6201-12-3) is a chemical compound with molecular formula C18H14N2O4S and molecular weight 354.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid
Also Known As: BIM-0004636.P001, AN-988/14610050, AB00104172-01, 3-({4-[(5-oxo-2-thioxo-4-imidazolidinylidene)methyl]phenoxy}methyl)benzoic acid, 3-[[4-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid
| Molecular Formula | C18H14N2O4S |
|---|---|
| Molecular Weight | 354.07 g/mol |
| LogP | 2.309 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.0674 |
| Heavy Atoms | 25 |
| Complexity | 874.8997 |
Chemical Identifiers
| CAS Number | 6201-12-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)COC2=CC=C(C=C2)/C=C/3\C(=O)NC(=S)N3 |
Product Overview
3-({4-[(5-Oxo-2-thioxo-4-imidazolidinylidene)methyl]phenoxy}methyl)benzoic acid (CAS 6201-12-3), with molecular formula C18H14N2O4S and molecular weight 354.07 g/mol. IUPAC: 3-[[4-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid.
Chemical Property Profile of 3-({4-[(5-Oxo-2-thioxo-4-imidazolidinylidene)methyl]phenoxy}methyl)benzoic acid
Property Insights of 3-({4-[(5-Oxo-2-thioxo-4-imidazolidinylidene)methyl]phenoxy}methyl)benzoic acid
The XLogP value of 2.309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-({4-[(5-Oxo-2-thioxo-4-imidazolidinylidene)methyl]phenoxy}methyl)benzoic acid. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({4-[(5-Oxo-2-thioxo-4-imidazolidinylidene)methyl]phenoxy}methyl)benzoic acid. Following Lipinski's Rule of Five, 3-({4-[(5-Oxo-2-thioxo-4-imidazolidinylidene)methyl]phenoxy}methyl)benzoic acid has 3 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 3-({4-[(5-Oxo-2-thioxo-4-imidazolidinylidene)methyl]phenoxy}methyl)benzoic acid?
The CAS number of 3-({4-[(5-Oxo-2-thioxo-4-imidazolidinylidene)methyl]phenoxy}methyl)benzoic acid is 6201-12-3.
What is the molecular formula of 3-({4-[(5-Oxo-2-thioxo-4-imidazolidinylidene)methyl]phenoxy}methyl)benzoic acid?
The molecular formula of 3-({4-[(5-Oxo-2-thioxo-4-imidazolidinylidene)methyl]phenoxy}methyl)benzoic acid is C18H14N2O4S.
What is the molecular weight of 3-({4-[(5-Oxo-2-thioxo-4-imidazolidinylidene)methyl]phenoxy}methyl)benzoic acid?
The molecular weight of 3-({4-[(5-Oxo-2-thioxo-4-imidazolidinylidene)methyl]phenoxy}methyl)benzoic acid is 354.07 g/mol.
Where can I buy 3-({4-[(5-Oxo-2-thioxo-4-imidazolidinylidene)methyl]phenoxy}methyl)benzoic acid?
You can request a quote for 3-({4-[(5-Oxo-2-thioxo-4-imidazolidinylidene)methyl]phenoxy}methyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-({4-[(5-Oxo-2-thioxo-4-imidazolidinylidene)methyl]phenoxy}methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({4-[(5-Oxo-2-thioxo-4-imidazolidinylidene)methyl]phenoxy}methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.