(4E)-4-(2-carbamothioylhydrazinylidene)-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylic acid
TL;DR: (4E)-4-(2-carbamothioylhydrazinylidene)-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylic acid (CAS 881447-76-3) is a chemical compound with molecular formula C13H17N3O3S and molecular weight 295.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-(carbamothioylhydrazinylidene)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxylic acid
Also Known As: (4E)-4-(2-carbamothioylhydrazinylidene)-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylic acid, (4E)-4-(carbamothioylhydrazinylidene)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxylic acid, (E)-4-(2-carbamothioylhydrazono)-3,6,6-trimethyl-4,5,6,7-tetrahydrobenzofuran-2-carboxylic acid, 4-{[(aminothioxomethyl)amino]azamethylene}-3,6,6-trimethyl-5,6,7-trihydrobenzo [1,2-b]furan-2-carboxylic acid
| Molecular Formula | C13H17N3O3S |
|---|---|
| Molecular Weight | 295.10 g/mol |
| LogP | 1.79592 |
| Topological Polar Surface Area | 100.85 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.09906 |
| Heavy Atoms | 20 |
| Complexity | 616.62274 |
Chemical Identifiers
| CAS Number | 881447-76-3 |
|---|---|
| SMILES | CC1=C(OC2=C1/C(=N/NC(=S)N)/CC(C2)(C)C)C(=O)O |
Product Overview
(4E)-4-(2-carbamothioylhydrazinylidene)-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylic acid (CAS 881447-76-3), with molecular formula C13H17N3O3S and molecular weight 295.10 g/mol. IUPAC: (4E)-4-(carbamothioylhydrazinylidene)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxylic acid.
Chemical Property Profile of (4E)-4-(2-carbamothioylhydrazinylidene)-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylic acid
Property Insights of (4E)-4-(2-carbamothioylhydrazinylidene)-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylic acid
The XLogP value of 1.79592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4E)-4-(2-carbamothioylhydrazinylidene)-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylic acid. The TPSA of 100.85 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-4-(2-carbamothioylhydrazinylidene)-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylic acid. Following Lipinski's Rule of Five, (4E)-4-(2-carbamothioylhydrazinylidene)-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylic 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 (4E)-4-(2-carbamothioylhydrazinylidene)-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylic acid?
The CAS number of (4E)-4-(2-carbamothioylhydrazinylidene)-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylic acid is 881447-76-3.
What is the molecular formula of (4E)-4-(2-carbamothioylhydrazinylidene)-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylic acid?
The molecular formula of (4E)-4-(2-carbamothioylhydrazinylidene)-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylic acid is C13H17N3O3S.
What is the molecular weight of (4E)-4-(2-carbamothioylhydrazinylidene)-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylic acid?
The molecular weight of (4E)-4-(2-carbamothioylhydrazinylidene)-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylic acid is 295.10 g/mol.
Where can I buy (4E)-4-(2-carbamothioylhydrazinylidene)-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylic acid?
You can request a quote for (4E)-4-(2-carbamothioylhydrazinylidene)-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4E)-4-(2-carbamothioylhydrazinylidene)-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (4E)-4-(2-carbamothioylhydrazinylidene)-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.