N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide
TL;DR: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide (CAS 708281-42-9) is a chemical compound with molecular formula C17H14N2O5S and molecular weight 358.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide
Also Known As: AP-970/42769321, N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide, N-(1,3-benzodioxol-5-ylcarbonyl)-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea
| Molecular Formula | C17H14N2O5S |
|---|---|
| Molecular Weight | 358.06 g/mol |
| LogP | 2.3133 |
| Topological Polar Surface Area | 78.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 358.06235 |
| Heavy Atoms | 25 |
| Complexity | 854.927 |
Chemical Identifiers
| CAS Number | 708281-42-9 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4 |
Product Overview
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide (CAS 708281-42-9), with molecular formula C17H14N2O5S and molecular weight 358.06 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide
Property Insights of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide
The XLogP value of 2.3133 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide. The TPSA of 78.05 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide. Following Lipinski's Rule of Five, N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide has 2 hydrogen bond donor(s) and 6 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 N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide?
The CAS number of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide is 708281-42-9.
What is the molecular formula of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide?
The molecular formula of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide is C17H14N2O5S.
What is the molecular weight of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide?
The molecular weight of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide is 358.06 g/mol.
Where can I buy N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide?
You can request a quote for N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.