![2-Chloro-5-[5-[(phenylthiocarbamoylhydrazono)methyl]-2-furyl]benzoic acid structure](/static/products/6086/6086-62-0.webp)
2-Chloro-5-[5-[(phenylthiocarbamoylhydrazono)methyl]-2-furyl]benzoic acid
TL;DR: 2-Chloro-5-[5-[(phenylthiocarbamoylhydrazono)methyl]-2-furyl]benzoic acid (CAS 6086-62-0) is a chemical compound with molecular formula C19H14ClN3O3S and molecular weight 399.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-[5-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid
Also Known As: N-(2-(benzyl(methyl)amino)propyl)-N-phenylpropionamide, 2-chloro-5-[5-[(phenylthiocarbamoylhydrazono)methyl]-2-furyl]benzoic acid, 5-{5-[2-(anilinocarbonothioyl)carbonohydrazonoyl]-2-furyl}-2-chlorobenzoic acid, 2-chloranyl-5-[5-[(phenylcarbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid, 2-chloro-5-[5-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid
| Molecular Formula | C19H14ClN3O3S |
|---|---|
| Molecular Weight | 399.04 g/mol |
| LogP | 4.6187 |
| Topological Polar Surface Area | 86.86 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.04443 |
| Heavy Atoms | 27 |
| Complexity | 1002.4443 |
Chemical Identifiers
| CAS Number | 6086-62-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)N/N=C/C2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)O |
Product Overview
2-Chloro-5-[5-[(phenylthiocarbamoylhydrazono)methyl]-2-furyl]benzoic acid (CAS 6086-62-0), with molecular formula C19H14ClN3O3S and molecular weight 399.04 g/mol. IUPAC: 2-chloro-5-[5-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid.
Chemical Property Profile of 2-Chloro-5-[5-[(phenylthiocarbamoylhydrazono)methyl]-2-furyl]benzoic acid
Property Insights of 2-Chloro-5-[5-[(phenylthiocarbamoylhydrazono)methyl]-2-furyl]benzoic acid
The XLogP value of 4.6187 indicates that 2-Chloro-5-[5-[(phenylthiocarbamoylhydrazono)methyl]-2-furyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-5-[5-[(phenylthiocarbamoylhydrazono)methyl]-2-furyl]benzoic acid. Following Lipinski's Rule of Five, 2-Chloro-5-[5-[(phenylthiocarbamoylhydrazono)methyl]-2-furyl]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 2-Chloro-5-[5-[(phenylthiocarbamoylhydrazono)methyl]-2-furyl]benzoic acid?
The CAS number of 2-Chloro-5-[5-[(phenylthiocarbamoylhydrazono)methyl]-2-furyl]benzoic acid is 6086-62-0.
What is the molecular formula of 2-Chloro-5-[5-[(phenylthiocarbamoylhydrazono)methyl]-2-furyl]benzoic acid?
The molecular formula of 2-Chloro-5-[5-[(phenylthiocarbamoylhydrazono)methyl]-2-furyl]benzoic acid is C19H14ClN3O3S.
What is the molecular weight of 2-Chloro-5-[5-[(phenylthiocarbamoylhydrazono)methyl]-2-furyl]benzoic acid?
The molecular weight of 2-Chloro-5-[5-[(phenylthiocarbamoylhydrazono)methyl]-2-furyl]benzoic acid is 399.04 g/mol.
Where can I buy 2-Chloro-5-[5-[(phenylthiocarbamoylhydrazono)methyl]-2-furyl]benzoic acid?
You can request a quote for 2-Chloro-5-[5-[(phenylthiocarbamoylhydrazono)methyl]-2-furyl]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-[(phenylthiocarbamoylhydrazono)methyl]-2-furyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-5-[5-[(phenylthiocarbamoylhydrazono)methyl]-2-furyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.