3-Furancarboxamide, 5-nitro-N-((phenylamino)thioxomethyl)-
TL;DR: 3-Furancarboxamide, 5-nitro-N-((phenylamino)thioxomethyl)- (CAS 117457-80-4) is a chemical compound with molecular formula C12H9N3O4S and molecular weight 291.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-N-(phenylcarbamothioyl)furan-3-carboxamide
Also Known As: N-(5-Nitro-3-furoyl)-N'-phenylthiourea, 5-nitro-N-(phenylcarbamothioyl)furan-3-carboxamide, 3-Furancarboxamide, 5-nitro-N-((phenylamino)thioxomethyl)-, 5-nitro-N-(phenylthiocarbamoyl)furan-3-carboxamide
| Molecular Formula | C12H9N3O4S |
|---|---|
| Molecular Weight | 291.03 g/mol |
| LogP | 2.3146 |
| Topological Polar Surface Area | 97.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.03137 |
| Heavy Atoms | 20 |
| Complexity | 653.7319 |
Chemical Identifiers
| CAS Number | 117457-80-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NC(=O)C2=COC(=C2)[N+](=O)[O-] |
Product Overview
3-Furancarboxamide, 5-nitro-N-((phenylamino)thioxomethyl)- (CAS 117457-80-4), with molecular formula C12H9N3O4S and molecular weight 291.03 g/mol. IUPAC: 5-nitro-N-(phenylcarbamothioyl)furan-3-carboxamide.
Chemical Property Profile of 3-Furancarboxamide, 5-nitro-N-((phenylamino)thioxomethyl)-
Property Insights of 3-Furancarboxamide, 5-nitro-N-((phenylamino)thioxomethyl)-
The XLogP value of 2.3146 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Furancarboxamide, 5-nitro-N-((phenylamino)thioxomethyl)-. The TPSA of 97.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Furancarboxamide, 5-nitro-N-((phenylamino)thioxomethyl)-. Following Lipinski's Rule of Five, 3-Furancarboxamide, 5-nitro-N-((phenylamino)thioxomethyl)- 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 3-Furancarboxamide, 5-nitro-N-((phenylamino)thioxomethyl)-?
The CAS number of 3-Furancarboxamide, 5-nitro-N-((phenylamino)thioxomethyl)- is 117457-80-4.
What is the molecular formula of 3-Furancarboxamide, 5-nitro-N-((phenylamino)thioxomethyl)-?
The molecular formula of 3-Furancarboxamide, 5-nitro-N-((phenylamino)thioxomethyl)- is C12H9N3O4S.
What is the molecular weight of 3-Furancarboxamide, 5-nitro-N-((phenylamino)thioxomethyl)-?
The molecular weight of 3-Furancarboxamide, 5-nitro-N-((phenylamino)thioxomethyl)- is 291.03 g/mol.
Where can I buy 3-Furancarboxamide, 5-nitro-N-((phenylamino)thioxomethyl)-?
You can request a quote for 3-Furancarboxamide, 5-nitro-N-((phenylamino)thioxomethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Furancarboxamide, 5-nitro-N-((phenylamino)thioxomethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Furancarboxamide, 5-nitro-N-((phenylamino)thioxomethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.