![3-{[(2-Furylcarbonylamino)thioxomethyl]amino}benzoic acid structure](/static/products/3705/370576-82-2.webp)
3-{[(2-Furylcarbonylamino)thioxomethyl]amino}benzoic acid
TL;DR: 3-{[(2-Furylcarbonylamino)thioxomethyl]amino}benzoic acid (CAS 370576-82-2) is a chemical compound with molecular formula C13H10N2O4S and molecular weight 290.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(furan-2-carbonylcarbamothioylamino)benzoic acid
Also Known As: BAS 03155061, 3-(furan-2-carbonylcarbamothioylamino)benzoic acid, 3-(3-(furan-2-carbonyl)thioureido)benzoic acid, 3-[3-(Furan-2-carbonyl)-thioureido]-benzoic acid, 3-{[(2-furoylamino)carbonothioyl]amino}benzoic acid
| Molecular Formula | C13H10N2O4S |
|---|---|
| Molecular Weight | 290.04 g/mol |
| LogP | 2.1046 |
| Topological Polar Surface Area | 91.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.03613 |
| Heavy Atoms | 20 |
| Complexity | 652.1506 |
Chemical Identifiers
| CAS Number | 370576-82-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=CO2)C(=O)O |
Product Overview
3-{[(2-Furylcarbonylamino)thioxomethyl]amino}benzoic acid (CAS 370576-82-2), with molecular formula C13H10N2O4S and molecular weight 290.04 g/mol. IUPAC: 3-(furan-2-carbonylcarbamothioylamino)benzoic acid.
Chemical Property Profile of 3-{[(2-Furylcarbonylamino)thioxomethyl]amino}benzoic acid
Property Insights of 3-{[(2-Furylcarbonylamino)thioxomethyl]amino}benzoic acid
The XLogP value of 2.1046 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[(2-Furylcarbonylamino)thioxomethyl]amino}benzoic acid. The TPSA of 91.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(2-Furylcarbonylamino)thioxomethyl]amino}benzoic acid. Following Lipinski's Rule of Five, 3-{[(2-Furylcarbonylamino)thioxomethyl]amino}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 3-{[(2-Furylcarbonylamino)thioxomethyl]amino}benzoic acid?
The CAS number of 3-{[(2-Furylcarbonylamino)thioxomethyl]amino}benzoic acid is 370576-82-2.
What is the molecular formula of 3-{[(2-Furylcarbonylamino)thioxomethyl]amino}benzoic acid?
The molecular formula of 3-{[(2-Furylcarbonylamino)thioxomethyl]amino}benzoic acid is C13H10N2O4S.
What is the molecular weight of 3-{[(2-Furylcarbonylamino)thioxomethyl]amino}benzoic acid?
The molecular weight of 3-{[(2-Furylcarbonylamino)thioxomethyl]amino}benzoic acid is 290.04 g/mol.
Where can I buy 3-{[(2-Furylcarbonylamino)thioxomethyl]amino}benzoic acid?
You can request a quote for 3-{[(2-Furylcarbonylamino)thioxomethyl]amino}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[(2-Furylcarbonylamino)thioxomethyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(2-Furylcarbonylamino)thioxomethyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.