(E)-3-(3-(3-(2,4-dichlorophenyl)acryloyl)thioureido)-4-methoxybenzoic acid
TL;DR: (E)-3-(3-(3-(2,4-dichlorophenyl)acryloyl)thioureido)-4-methoxybenzoic acid (CAS 530132-61-7) is a chemical compound with molecular formula C18H14Cl2N2O4S and molecular weight 424.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioylamino]-4-methoxybenzoic acid
Also Known As: (E)-3-(3-(3-(2,4-dichlorophenyl)acryloyl)thioureido)-4-methoxybenzoic acid, 3-({[(2E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioyl}amino)-4-methoxybenzoic acid, 3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioylamino]-4-methoxybenzoic acid, 3-[3-(2,4-dichlorophenyl)prop-2-enoylthiocarbamoylamino]-4-methoxy-benzoic Acid
| Molecular Formula | C18H14Cl2N2O4S |
|---|---|
| Molecular Weight | 424.01 g/mol |
| LogP | 4.2266 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.00513 |
| Heavy Atoms | 27 |
| Complexity | 931.5728 |
Chemical Identifiers
| CAS Number | 530132-61-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl |
Product Overview
(E)-3-(3-(3-(2,4-dichlorophenyl)acryloyl)thioureido)-4-methoxybenzoic acid (CAS 530132-61-7), with molecular formula C18H14Cl2N2O4S and molecular weight 424.01 g/mol. IUPAC: 3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioylamino]-4-methoxybenzoic acid.
Chemical Property Profile of (E)-3-(3-(3-(2,4-dichlorophenyl)acryloyl)thioureido)-4-methoxybenzoic acid
Property Insights of (E)-3-(3-(3-(2,4-dichlorophenyl)acryloyl)thioureido)-4-methoxybenzoic acid
The XLogP value of 4.2266 indicates that (E)-3-(3-(3-(2,4-dichlorophenyl)acryloyl)thioureido)-4-methoxybenzoic 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 (E)-3-(3-(3-(2,4-dichlorophenyl)acryloyl)thioureido)-4-methoxybenzoic acid. Following Lipinski's Rule of Five, (E)-3-(3-(3-(2,4-dichlorophenyl)acryloyl)thioureido)-4-methoxybenzoic 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 (E)-3-(3-(3-(2,4-dichlorophenyl)acryloyl)thioureido)-4-methoxybenzoic acid?
The CAS number of (E)-3-(3-(3-(2,4-dichlorophenyl)acryloyl)thioureido)-4-methoxybenzoic acid is 530132-61-7.
What is the molecular formula of (E)-3-(3-(3-(2,4-dichlorophenyl)acryloyl)thioureido)-4-methoxybenzoic acid?
The molecular formula of (E)-3-(3-(3-(2,4-dichlorophenyl)acryloyl)thioureido)-4-methoxybenzoic acid is C18H14Cl2N2O4S.
What is the molecular weight of (E)-3-(3-(3-(2,4-dichlorophenyl)acryloyl)thioureido)-4-methoxybenzoic acid?
The molecular weight of (E)-3-(3-(3-(2,4-dichlorophenyl)acryloyl)thioureido)-4-methoxybenzoic acid is 424.01 g/mol.
Where can I buy (E)-3-(3-(3-(2,4-dichlorophenyl)acryloyl)thioureido)-4-methoxybenzoic acid?
You can request a quote for (E)-3-(3-(3-(2,4-dichlorophenyl)acryloyl)thioureido)-4-methoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(3-(3-(2,4-dichlorophenyl)acryloyl)thioureido)-4-methoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(3-(3-(2,4-dichlorophenyl)acryloyl)thioureido)-4-methoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.