![4-methoxy-3-[({(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamothioyl)amino]benzoic acid structure](/static/products/532/532944-18-6.png)
4-methoxy-3-[({(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamothioyl)amino]benzoic acid
TL;DR: 4-methoxy-3-[({(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamothioyl)amino]benzoic acid (CAS 532944-18-6) is a chemical compound with molecular formula C21H22N2O4S and molecular weight 398.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]carbamothioylamino]benzoic acid
Also Known As: 4-methoxy-3-[({(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamothioyl)amino]benzoic acid, (E)-3-(3-(3-(4-isopropylphenyl)acryloyl)thioureido)-4-methoxybenzoic acid, 3-[({[(2E)-3-(4-isopropylphenyl)prop-2-enoyl]amino}carbonothioyl)amino]-4-methoxybenzoic acid, 4-methoxy-3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]carbamothioylamino]benzoic acid, 4-methoxy-3-[3-(4-propan-2-ylphenyl)prop-2-enoylthiocarbamoylamino]benzoic Acid
| Molecular Formula | C21H22N2O4S |
|---|---|
| Molecular Weight | 398.13 g/mol |
| LogP | 4.0432 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.13004 |
| Heavy Atoms | 28 |
| Complexity | 905.12164 |
Chemical Identifiers
| CAS Number | 532944-18-6 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)OC |
Product Overview
4-methoxy-3-[({(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamothioyl)amino]benzoic acid (CAS 532944-18-6), with molecular formula C21H22N2O4S and molecular weight 398.13 g/mol. IUPAC: 4-methoxy-3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 4-methoxy-3-[({(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamothioyl)amino]benzoic acid
Property Insights of 4-methoxy-3-[({(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamothioyl)amino]benzoic acid
The XLogP value of 4.0432 indicates that 4-methoxy-3-[({(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamothioyl)amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methoxy-3-[({(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamothioyl)amino]benzoic acid. Following Lipinski's Rule of Five, 4-methoxy-3-[({(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamothioyl)amino]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 4-methoxy-3-[({(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamothioyl)amino]benzoic acid?
The CAS number of 4-methoxy-3-[({(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamothioyl)amino]benzoic acid is 532944-18-6.
What is the molecular formula of 4-methoxy-3-[({(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamothioyl)amino]benzoic acid?
The molecular formula of 4-methoxy-3-[({(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamothioyl)amino]benzoic acid is C21H22N2O4S.
What is the molecular weight of 4-methoxy-3-[({(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamothioyl)amino]benzoic acid?
The molecular weight of 4-methoxy-3-[({(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamothioyl)amino]benzoic acid is 398.13 g/mol.
Where can I buy 4-methoxy-3-[({(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamothioyl)amino]benzoic acid?
You can request a quote for 4-methoxy-3-[({(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamothioyl)amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methoxy-3-[({(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamothioyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-methoxy-3-[({(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamothioyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.