![N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-methyl-3-nitrobenzamide structure](/static/products/838/838818-40-9.png)
N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-methyl-3-nitrobenzamide
TL;DR: N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-methyl-3-nitrobenzamide (CAS 838818-40-9) is a chemical compound with molecular formula C20H17N3O5S and molecular weight 411.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-methyl-3-nitrobenzamide
Also Known As: N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-methyl-3-nitrobenzamide, N-({4-[5-(hydroxymethyl)furan-2-yl]phenyl}carbamothioyl)-4-methyl-3-nitrobenzamide
| Molecular Formula | C20H17N3O5S |
|---|---|
| Molecular Weight | 411.09 g/mol |
| LogP | 3.78232 |
| Topological Polar Surface Area | 117.64 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.0889 |
| Heavy Atoms | 29 |
| Complexity | 1075.9757 |
Chemical Identifiers
| CAS Number | 838818-40-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=CC=C(O3)CO)[N+](=O)[O-] |
Product Overview
N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-methyl-3-nitrobenzamide (CAS 838818-40-9), with molecular formula C20H17N3O5S and molecular weight 411.09 g/mol. IUPAC: N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-methyl-3-nitrobenzamide.
Chemical Property Profile of N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-methyl-3-nitrobenzamide
Property Insights of N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-methyl-3-nitrobenzamide
The XLogP value of 3.78232 indicates that N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-methyl-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.64 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-methyl-3-nitrobenzamide. Following Lipinski's Rule of Five, N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-methyl-3-nitrobenzamide has 3 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-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-methyl-3-nitrobenzamide?
The CAS number of N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-methyl-3-nitrobenzamide is 838818-40-9.
What is the molecular formula of N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-methyl-3-nitrobenzamide?
The molecular formula of N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-methyl-3-nitrobenzamide is C20H17N3O5S.
What is the molecular weight of N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-methyl-3-nitrobenzamide?
The molecular weight of N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-methyl-3-nitrobenzamide is 411.09 g/mol.
Where can I buy N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-methyl-3-nitrobenzamide?
You can request a quote for N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-methyl-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-methyl-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-methyl-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.