![2-chloro-5-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid structure](/static/products/4339/433947-95-6.webp)
2-chloro-5-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid
TL;DR: 2-chloro-5-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid (CAS 433947-95-6) is a chemical compound with molecular formula C20H14Cl2N2O4S and molecular weight 448.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid
Also Known As: 2-chloro-5-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid, 2-chloro-5-(3-(5-(3-chloro-4-methylphenyl)furan-2-carbonyl)thioureido)benzoic acid, 2-chloro-5-[[5-(3-chloro-4-methyl-phenyl)furan-2-carbonyl]thiocarbamoylamino]benzoic Acid, 2-chloro-5-[({[5-(3-chloro-4-methylphenyl)furan-2-yl]carbonyl}carbamothioyl)amino]benzoic acid
| Molecular Formula | C20H14Cl2N2O4S |
|---|---|
| Molecular Weight | 448.01 g/mol |
| LogP | 5.38682 |
| Topological Polar Surface Area | 91.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.00513 |
| Heavy Atoms | 29 |
| Complexity | 1127.4191 |
Chemical Identifiers
| CAS Number | 433947-95-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=CC(=C(C=C3)Cl)C(=O)O)Cl |
Product Overview
2-chloro-5-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid (CAS 433947-95-6), with molecular formula C20H14Cl2N2O4S and molecular weight 448.01 g/mol. IUPAC: 2-chloro-5-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 2-chloro-5-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid
Property Insights of 2-chloro-5-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid
The XLogP value of 5.38682 indicates that 2-chloro-5-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-5-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid. Following Lipinski's Rule of Five, 2-chloro-5-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-chloro-5-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid?
The CAS number of 2-chloro-5-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid is 433947-95-6.
What is the molecular formula of 2-chloro-5-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid?
The molecular formula of 2-chloro-5-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid is C20H14Cl2N2O4S.
What is the molecular weight of 2-chloro-5-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid?
The molecular weight of 2-chloro-5-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid is 448.01 g/mol.
Where can I buy 2-chloro-5-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid?
You can request a quote for 2-chloro-5-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-5-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-5-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.