N-(furan-2-ylmethylcarbamothioyl)-1,3-benzodioxole-5-carboxamide
TL;DR: N-(furan-2-ylmethylcarbamothioyl)-1,3-benzodioxole-5-carboxamide (CAS 708287-78-9) is a chemical compound with molecular formula C14H12N2O4S and molecular weight 304.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(furan-2-ylmethylcarbamothioyl)-1,3-benzodioxole-5-carboxamide
Also Known As: AP-970/42709732, N-(1,3-benzodioxol-5-ylcarbonyl)-N'-(2-furylmethyl)thiourea, N-(furan-2-ylmethylcarbamothioyl)-1,3-benzodioxole-5-carboxamide, N-[(furan-2-ylmethyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide
| Molecular Formula | C14H12N2O4S |
|---|---|
| Molecular Weight | 304.05 g/mol |
| LogP | 1.8128 |
| Topological Polar Surface Area | 72.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.0518 |
| Heavy Atoms | 21 |
| Complexity | 669.61847 |
Chemical Identifiers
| CAS Number | 708287-78-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NCC3=CC=CO3 |
Product Overview
N-(furan-2-ylmethylcarbamothioyl)-1,3-benzodioxole-5-carboxamide (CAS 708287-78-9), with molecular formula C14H12N2O4S and molecular weight 304.05 g/mol. IUPAC: N-(furan-2-ylmethylcarbamothioyl)-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of N-(furan-2-ylmethylcarbamothioyl)-1,3-benzodioxole-5-carboxamide
Property Insights of N-(furan-2-ylmethylcarbamothioyl)-1,3-benzodioxole-5-carboxamide
The XLogP value of 1.8128 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(furan-2-ylmethylcarbamothioyl)-1,3-benzodioxole-5-carboxamide. The TPSA of 72.73 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(furan-2-ylmethylcarbamothioyl)-1,3-benzodioxole-5-carboxamide. Following Lipinski's Rule of Five, N-(furan-2-ylmethylcarbamothioyl)-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-(furan-2-ylmethylcarbamothioyl)-1,3-benzodioxole-5-carboxamide?
The CAS number of N-(furan-2-ylmethylcarbamothioyl)-1,3-benzodioxole-5-carboxamide is 708287-78-9.
What is the molecular formula of N-(furan-2-ylmethylcarbamothioyl)-1,3-benzodioxole-5-carboxamide?
The molecular formula of N-(furan-2-ylmethylcarbamothioyl)-1,3-benzodioxole-5-carboxamide is C14H12N2O4S.
What is the molecular weight of N-(furan-2-ylmethylcarbamothioyl)-1,3-benzodioxole-5-carboxamide?
The molecular weight of N-(furan-2-ylmethylcarbamothioyl)-1,3-benzodioxole-5-carboxamide is 304.05 g/mol.
Where can I buy N-(furan-2-ylmethylcarbamothioyl)-1,3-benzodioxole-5-carboxamide?
You can request a quote for N-(furan-2-ylmethylcarbamothioyl)-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-(furan-2-ylmethylcarbamothioyl)-1,3-benzodioxole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(furan-2-ylmethylcarbamothioyl)-1,3-benzodioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.