![3-[5-[(Carbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid structure](/static/products/3013/301347-96-6.webp)
3-[5-[(Carbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid
TL;DR: 3-[5-[(Carbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid (CAS 301347-96-6) is a chemical compound with molecular formula C13H11N3O3S and molecular weight 289.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[(carbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid
Also Known As: 3-[5-[(carbamothioylhydrazinylidene)methyl]-2-furyl]benzoic Acid, 3-[5-[(carbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid
| Molecular Formula | C13H11N3O3S |
|---|---|
| Molecular Weight | 289.05 g/mol |
| LogP | 1.8119 |
| Topological Polar Surface Area | 100.85 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.05212 |
| Heavy Atoms | 20 |
| Complexity | 679.00586 |
Chemical Identifiers
| CAS Number | 301347-96-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)C=NNC(=S)N |
Product Overview
3-[5-[(Carbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid (CAS 301347-96-6), with molecular formula C13H11N3O3S and molecular weight 289.05 g/mol. IUPAC: 3-[5-[(carbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid.
Chemical Property Profile of 3-[5-[(Carbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid
Property Insights of 3-[5-[(Carbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid
The XLogP value of 1.8119 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[5-[(Carbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid. The TPSA of 100.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[5-[(Carbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid. Following Lipinski's Rule of Five, 3-[5-[(Carbamothioylhydrazinylidene)methyl]furan-2-yl]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-[5-[(Carbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid?
The CAS number of 3-[5-[(Carbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid is 301347-96-6.
What is the molecular formula of 3-[5-[(Carbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid?
The molecular formula of 3-[5-[(Carbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid is C13H11N3O3S.
What is the molecular weight of 3-[5-[(Carbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid?
The molecular weight of 3-[5-[(Carbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid is 289.05 g/mol.
Where can I buy 3-[5-[(Carbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid?
You can request a quote for 3-[5-[(Carbamothioylhydrazinylidene)methyl]furan-2-yl]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-[5-[(Carbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-[(Carbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.