![3-[3-(3-Furan-2-yl-acryloyl)-thioureido]-benzoic acid structure](/static/products/370/370573-91-4.png)
3-[3-(3-Furan-2-yl-acryloyl)-thioureido]-benzoic acid
TL;DR: 3-[3-(3-Furan-2-yl-acryloyl)-thioureido]-benzoic acid (CAS 370573-91-4) is a chemical compound with molecular formula C15H12N2O4S and molecular weight 316.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoic acid
Also Known As: BAS 03155059, 3-[3-(3-Furan-2-yl-acryloyl)-thioureido]-benzoic acid, (E)-3-(3-(3-(furan-2-yl)acryloyl)thioureido)benzoic acid, 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoic acid, 3-[[(E)-3-(2-furyl)acryloyl]thiocarbamoylamino]benzoic acid
| Molecular Formula | C15H12N2O4S |
|---|---|
| Molecular Weight | 316.05 g/mol |
| LogP | 2.5042 |
| Topological Polar Surface Area | 91.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.0518 |
| Heavy Atoms | 22 |
| Complexity | 722.9035 |
Chemical Identifiers
| CAS Number | 370573-91-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=S)NC(=O)/C=C/C2=CC=CO2)C(=O)O |
Product Overview
3-[3-(3-Furan-2-yl-acryloyl)-thioureido]-benzoic acid (CAS 370573-91-4), with molecular formula C15H12N2O4S and molecular weight 316.05 g/mol. IUPAC: 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 3-[3-(3-Furan-2-yl-acryloyl)-thioureido]-benzoic acid
Property Insights of 3-[3-(3-Furan-2-yl-acryloyl)-thioureido]-benzoic acid
The XLogP value of 2.5042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[3-(3-Furan-2-yl-acryloyl)-thioureido]-benzoic acid. The TPSA of 91.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3-(3-Furan-2-yl-acryloyl)-thioureido]-benzoic acid. Following Lipinski's Rule of Five, 3-[3-(3-Furan-2-yl-acryloyl)-thioureido]-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-[3-(3-Furan-2-yl-acryloyl)-thioureido]-benzoic acid?
The CAS number of 3-[3-(3-Furan-2-yl-acryloyl)-thioureido]-benzoic acid is 370573-91-4.
What is the molecular formula of 3-[3-(3-Furan-2-yl-acryloyl)-thioureido]-benzoic acid?
The molecular formula of 3-[3-(3-Furan-2-yl-acryloyl)-thioureido]-benzoic acid is C15H12N2O4S.
What is the molecular weight of 3-[3-(3-Furan-2-yl-acryloyl)-thioureido]-benzoic acid?
The molecular weight of 3-[3-(3-Furan-2-yl-acryloyl)-thioureido]-benzoic acid is 316.05 g/mol.
Where can I buy 3-[3-(3-Furan-2-yl-acryloyl)-thioureido]-benzoic acid?
You can request a quote for 3-[3-(3-Furan-2-yl-acryloyl)-thioureido]-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-[3-(3-Furan-2-yl-acryloyl)-thioureido]-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(3-Furan-2-yl-acryloyl)-thioureido]-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.