3-(3-(5-(2,5-dichlorophenyl)furan-2-carbonyl)thioureido)-4-methoxybenzoic acid
TL;DR: 3-(3-(5-(2,5-dichlorophenyl)furan-2-carbonyl)thioureido)-4-methoxybenzoic acid (CAS 690648-99-8) is a chemical compound with molecular formula C20H14Cl2N2O5S and molecular weight 464.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[5-(2,5-dichlorophenyl)furan-2-carbonyl]carbamothioylamino]-4-methoxybenzoic acid
Also Known As: 3-(3-(5-(2,5-dichlorophenyl)furan-2-carbonyl)thioureido)-4-methoxybenzoic acid, 3-[({[5-(2,5-dichlorophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]-4-methoxybenzoic acid, 3-[[5-(2,5-dichlorophenyl)furan-2-carbonyl]carbamothioylamino]-4-methoxybenzoic acid, 3-[({[5-(2,5-dichlorophenyl)-2-furoyl]amino}carbonothioyl)amino]-4-methoxybenzoic acid, 3-[[5-(2,5-dichlorophenyl)furan-2-carbonyl]thiocarbamoylamino]-4-methoxy-benzoic Acid
| Molecular Formula | C20H14Cl2N2O5S |
|---|---|
| Molecular Weight | 464.00 g/mol |
| LogP | 5.087 |
| Topological Polar Surface Area | 100.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.00006 |
| Heavy Atoms | 30 |
| Complexity | 1145.9756 |
Chemical Identifiers
| CAS Number | 690648-99-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=C(O2)C3=C(C=CC(=C3)Cl)Cl |
Product Overview
3-(3-(5-(2,5-dichlorophenyl)furan-2-carbonyl)thioureido)-4-methoxybenzoic acid (CAS 690648-99-8), with molecular formula C20H14Cl2N2O5S and molecular weight 464.00 g/mol. IUPAC: 3-[[5-(2,5-dichlorophenyl)furan-2-carbonyl]carbamothioylamino]-4-methoxybenzoic acid.
Chemical Property Profile of 3-(3-(5-(2,5-dichlorophenyl)furan-2-carbonyl)thioureido)-4-methoxybenzoic acid
Property Insights of 3-(3-(5-(2,5-dichlorophenyl)furan-2-carbonyl)thioureido)-4-methoxybenzoic acid
The XLogP value of 5.087 indicates that 3-(3-(5-(2,5-dichlorophenyl)furan-2-carbonyl)thioureido)-4-methoxybenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-(5-(2,5-dichlorophenyl)furan-2-carbonyl)thioureido)-4-methoxybenzoic acid. Following Lipinski's Rule of Five, 3-(3-(5-(2,5-dichlorophenyl)furan-2-carbonyl)thioureido)-4-methoxybenzoic acid has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(3-(5-(2,5-dichlorophenyl)furan-2-carbonyl)thioureido)-4-methoxybenzoic acid?
The CAS number of 3-(3-(5-(2,5-dichlorophenyl)furan-2-carbonyl)thioureido)-4-methoxybenzoic acid is 690648-99-8.
What is the molecular formula of 3-(3-(5-(2,5-dichlorophenyl)furan-2-carbonyl)thioureido)-4-methoxybenzoic acid?
The molecular formula of 3-(3-(5-(2,5-dichlorophenyl)furan-2-carbonyl)thioureido)-4-methoxybenzoic acid is C20H14Cl2N2O5S.
What is the molecular weight of 3-(3-(5-(2,5-dichlorophenyl)furan-2-carbonyl)thioureido)-4-methoxybenzoic acid?
The molecular weight of 3-(3-(5-(2,5-dichlorophenyl)furan-2-carbonyl)thioureido)-4-methoxybenzoic acid is 464.00 g/mol.
Where can I buy 3-(3-(5-(2,5-dichlorophenyl)furan-2-carbonyl)thioureido)-4-methoxybenzoic acid?
You can request a quote for 3-(3-(5-(2,5-dichlorophenyl)furan-2-carbonyl)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 3-(3-(5-(2,5-dichlorophenyl)furan-2-carbonyl)thioureido)-4-methoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-(5-(2,5-dichlorophenyl)furan-2-carbonyl)thioureido)-4-methoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.