N-(pyridin-3-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide
TL;DR: N-(pyridin-3-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide (CAS 706768-11-8) is a chemical compound with molecular formula C14H11N3O3S and molecular weight 301.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(pyridin-3-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide
Also Known As: N-(pyridin-3-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide, AP-970/42736500, N-(1,3-benzodioxol-5-ylcarbonyl)-N'-(3-pyridinyl)thiourea, N-[(pyridin-3-ylamino)carbonothioyl]-1,3-benzodioxole-5-carboxamide
| Molecular Formula | C14H11N3O3S |
|---|---|
| Molecular Weight | 301.05 g/mol |
| LogP | 1.9371 |
| Topological Polar Surface Area | 72.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.05212 |
| Heavy Atoms | 21 |
| Complexity | 691.1185 |
Chemical Identifiers
| CAS Number | 706768-11-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=CN=CC=C3 |
Product Overview
N-(pyridin-3-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide (CAS 706768-11-8), with molecular formula C14H11N3O3S and molecular weight 301.05 g/mol. IUPAC: N-(pyridin-3-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of N-(pyridin-3-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide
Property Insights of N-(pyridin-3-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide
The XLogP value of 1.9371 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(pyridin-3-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide. The TPSA of 72.48 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(pyridin-3-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide. Following Lipinski's Rule of Five, N-(pyridin-3-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide has 2 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 N-(pyridin-3-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide?
The CAS number of N-(pyridin-3-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide is 706768-11-8.
What is the molecular formula of N-(pyridin-3-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide?
The molecular formula of N-(pyridin-3-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide is C14H11N3O3S.
What is the molecular weight of N-(pyridin-3-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide?
The molecular weight of N-(pyridin-3-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide is 301.05 g/mol.
Where can I buy N-(pyridin-3-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide?
You can request a quote for N-(pyridin-3-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-(pyridin-3-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(pyridin-3-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.