2-Chloro-4-(furan-2-carbonylcarbamothioylamino)benzoic acid
TL;DR: 2-Chloro-4-(furan-2-carbonylcarbamothioylamino)benzoic acid (CAS 532954-40-8) is a chemical compound with molecular formula C13H9ClN2O4S and molecular weight 324.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-(furan-2-carbonylcarbamothioylamino)benzoic acid
Also Known As: 2-chloro-4-(furan-2-carbonylcarbamothioylamino)benzoic acid, 2-chloro-4-{[(2-furoylamino)carbothioyl]amino}benzoic acid, AP-970/41524006, 2-Chloro-4-[3-(furan-2-carbonyl)-thioureido]-benzoic acid, 2-chloro-4-(3-(furan-2-carbonyl)thioureido)benzoic acid
| Molecular Formula | C13H9ClN2O4S |
|---|---|
| Molecular Weight | 324.00 g/mol |
| LogP | 2.758 |
| Topological Polar Surface Area | 91.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.99716 |
| Heavy Atoms | 21 |
| Complexity | 700.2018 |
Chemical Identifiers
| CAS Number | 532954-40-8 |
|---|---|
| SMILES | C1=COC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)C(=O)O)Cl |
Product Overview
2-Chloro-4-(furan-2-carbonylcarbamothioylamino)benzoic acid (CAS 532954-40-8), with molecular formula C13H9ClN2O4S and molecular weight 324.00 g/mol. IUPAC: 2-chloro-4-(furan-2-carbonylcarbamothioylamino)benzoic acid.
Chemical Property Profile of 2-Chloro-4-(furan-2-carbonylcarbamothioylamino)benzoic acid
Property Insights of 2-Chloro-4-(furan-2-carbonylcarbamothioylamino)benzoic acid
The XLogP value of 2.758 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-4-(furan-2-carbonylcarbamothioylamino)benzoic acid. The TPSA of 91.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-4-(furan-2-carbonylcarbamothioylamino)benzoic acid. Following Lipinski's Rule of Five, 2-Chloro-4-(furan-2-carbonylcarbamothioylamino)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-4-(furan-2-carbonylcarbamothioylamino)benzoic acid?
The CAS number of 2-Chloro-4-(furan-2-carbonylcarbamothioylamino)benzoic acid is 532954-40-8.
What is the molecular formula of 2-Chloro-4-(furan-2-carbonylcarbamothioylamino)benzoic acid?
The molecular formula of 2-Chloro-4-(furan-2-carbonylcarbamothioylamino)benzoic acid is C13H9ClN2O4S.
What is the molecular weight of 2-Chloro-4-(furan-2-carbonylcarbamothioylamino)benzoic acid?
The molecular weight of 2-Chloro-4-(furan-2-carbonylcarbamothioylamino)benzoic acid is 324.00 g/mol.
Where can I buy 2-Chloro-4-(furan-2-carbonylcarbamothioylamino)benzoic acid?
You can request a quote for 2-Chloro-4-(furan-2-carbonylcarbamothioylamino)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-4-(furan-2-carbonylcarbamothioylamino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-(furan-2-carbonylcarbamothioylamino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.