2-(benzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thioxoacetamide
TL;DR: 2-(benzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thioxoacetamide (CAS 303091-04-5) is a chemical compound with molecular formula C17H16N2O3S and molecular weight 328.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-sulfanylideneacetamide
Also Known As: 2-(benzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thioxoacetamide, 1-(benzylcarbamothioyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)formamide, AA-768/14251018, 2-(benzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-sulfanylideneacetamide, N-(2H,3H-benzo[e]1,4-dioxin-6-yl)-2-[benzylamino]-2-thioxoacetamide
| Molecular Formula | C17H16N2O3S |
|---|---|
| Molecular Weight | 328.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.08817 |
| Heavy Atoms | 23 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 303091-04-5 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)NC(=O)C(=S)NCC3=CC=CC=C3 |
| InChIKey | CPGPLJIERWMVQS-UHFFFAOYSA-N |
Product Overview
2-(benzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thioxoacetamide (CAS 303091-04-5), with molecular formula C17H16N2O3S and molecular weight 328.09 g/mol. IUPAC: 2-(benzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-sulfanylideneacetamide.
Chemical Property Profile of 2-(benzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thioxoacetamide
Property Insights of 2-(benzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thioxoacetamide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(benzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thioxoacetamide. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(benzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thioxoacetamide. Following Lipinski's Rule of Five, 2-(benzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thioxoacetamide has 2 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 2-(benzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thioxoacetamide?
The CAS number of 2-(benzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thioxoacetamide is 303091-04-5.
What is the molecular formula of 2-(benzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thioxoacetamide?
The molecular formula of 2-(benzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thioxoacetamide is C17H16N2O3S.
What is the molecular weight of 2-(benzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thioxoacetamide?
The molecular weight of 2-(benzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thioxoacetamide is 328.09 g/mol.
Where can I buy 2-(benzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thioxoacetamide?
You can request a quote for 2-(benzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thioxoacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(benzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thioxoacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thioxoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.