![3-{[(Pyridin-4-ylcarbonyl)carbamothioyl]amino}benzoic acid structure](/static/products/370/370575-28-3.png)
3-{[(Pyridin-4-ylcarbonyl)carbamothioyl]amino}benzoic acid
TL;DR: 3-{[(Pyridin-4-ylcarbonyl)carbamothioyl]amino}benzoic acid (CAS 370575-28-3) is a chemical compound with molecular formula C14H11N3O3S and molecular weight 301.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(pyridine-4-carbonylcarbamothioylamino)benzoic acid
Also Known As: BAS 03155064, 3-(3-isonicotinoylthioureido)benzoic acid, 3-(pyridine-4-carbonylcarbamothioylamino)benzoic acid, 3-[3-(Pyridine-4-carbonyl)-thioureido]-benzoic acid, 3-{[(pyridin-4-ylcarbonyl)carbamothioyl]amino}benzoic acid
| Molecular Formula | C14H11N3O3S |
|---|---|
| Molecular Weight | 301.05 g/mol |
| LogP | 1.9066 |
| Topological Polar Surface Area | 91.32 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.05212 |
| Heavy Atoms | 21 |
| Complexity | 688.8734 |
Chemical Identifiers
| CAS Number | 370575-28-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=NC=C2)C(=O)O |
Product Overview
3-{[(Pyridin-4-ylcarbonyl)carbamothioyl]amino}benzoic acid (CAS 370575-28-3), with molecular formula C14H11N3O3S and molecular weight 301.05 g/mol. IUPAC: 3-(pyridine-4-carbonylcarbamothioylamino)benzoic acid.
Chemical Property Profile of 3-{[(Pyridin-4-ylcarbonyl)carbamothioyl]amino}benzoic acid
Property Insights of 3-{[(Pyridin-4-ylcarbonyl)carbamothioyl]amino}benzoic acid
The XLogP value of 1.9066 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[(Pyridin-4-ylcarbonyl)carbamothioyl]amino}benzoic acid. The TPSA of 91.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(Pyridin-4-ylcarbonyl)carbamothioyl]amino}benzoic acid. Following Lipinski's Rule of Five, 3-{[(Pyridin-4-ylcarbonyl)carbamothioyl]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-{[(Pyridin-4-ylcarbonyl)carbamothioyl]amino}benzoic acid?
The CAS number of 3-{[(Pyridin-4-ylcarbonyl)carbamothioyl]amino}benzoic acid is 370575-28-3.
What is the molecular formula of 3-{[(Pyridin-4-ylcarbonyl)carbamothioyl]amino}benzoic acid?
The molecular formula of 3-{[(Pyridin-4-ylcarbonyl)carbamothioyl]amino}benzoic acid is C14H11N3O3S.
What is the molecular weight of 3-{[(Pyridin-4-ylcarbonyl)carbamothioyl]amino}benzoic acid?
The molecular weight of 3-{[(Pyridin-4-ylcarbonyl)carbamothioyl]amino}benzoic acid is 301.05 g/mol.
Where can I buy 3-{[(Pyridin-4-ylcarbonyl)carbamothioyl]amino}benzoic acid?
You can request a quote for 3-{[(Pyridin-4-ylcarbonyl)carbamothioyl]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-{[(Pyridin-4-ylcarbonyl)carbamothioyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(Pyridin-4-ylcarbonyl)carbamothioyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.