![4-[(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)amino]phenyl thiocyanate structure](/static/products/838/838873-50-0.png)
4-[(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)amino]phenyl thiocyanate
TL;DR: 4-[(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)amino]phenyl thiocyanate (CAS 838873-50-0) is a chemical compound with molecular formula C16H12N2O3S and molecular weight 312.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)phenyl] thiocyanate
Also Known As: AB01323976-02, [4-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)phenyl] thiocyanate, 2H,3H-benzo[3,4-e]1,4-dioxin-6-yl-N-(4-cyanothiophenyl)carboxamide, 4-[(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)amino]phenyl thiocyanate, N-(4-thiocyanatophenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide
| Molecular Formula | C16H12N2O3S |
|---|---|
| Molecular Weight | 312.06 g/mol |
| LogP | 3.28328 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.05685 |
| Heavy Atoms | 22 |
| Complexity | 738.0464 |
Chemical Identifiers
| CAS Number | 838873-50-0 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C(=O)NC3=CC=C(C=C3)SC#N |
Product Overview
4-[(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)amino]phenyl thiocyanate (CAS 838873-50-0), with molecular formula C16H12N2O3S and molecular weight 312.06 g/mol. IUPAC: [4-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)phenyl] thiocyanate.
Chemical Property Profile of 4-[(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)amino]phenyl thiocyanate
Property Insights of 4-[(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)amino]phenyl thiocyanate
The XLogP value of 3.28328 indicates that 4-[(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)amino]phenyl thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)amino]phenyl thiocyanate. Following Lipinski's Rule of Five, 4-[(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)amino]phenyl thiocyanate has 1 hydrogen bond donor(s) and 5 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 4-[(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)amino]phenyl thiocyanate?
The CAS number of 4-[(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)amino]phenyl thiocyanate is 838873-50-0.
What is the molecular formula of 4-[(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)amino]phenyl thiocyanate?
The molecular formula of 4-[(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)amino]phenyl thiocyanate is C16H12N2O3S.
What is the molecular weight of 4-[(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)amino]phenyl thiocyanate?
The molecular weight of 4-[(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)amino]phenyl thiocyanate is 312.06 g/mol.
Where can I buy 4-[(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)amino]phenyl thiocyanate?
You can request a quote for 4-[(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)amino]phenyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)amino]phenyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)amino]phenyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.