![N-{[2-(butan-2-yl)phenyl]carbamothioyl}-5-(3-nitrophenyl)furan-2-carboxamide structure](/static/products/638/638162-60-4.png)
N-{[2-(butan-2-yl)phenyl]carbamothioyl}-5-(3-nitrophenyl)furan-2-carboxamide
TL;DR: N-{[2-(butan-2-yl)phenyl]carbamothioyl}-5-(3-nitrophenyl)furan-2-carboxamide (CAS 638162-60-4) is a chemical compound with molecular formula C22H21N3O4S and molecular weight 423.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-butan-2-ylphenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide
Also Known As: N-[(2-butan-2-ylphenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide, N-[(2-butan-2-ylphenyl)thiocarbamoyl]-5-(3-nitrophenyl)furan-2-carboxamide, N-((2-(sec-butyl)phenyl)carbamothioyl)-5-(3-nitrophenyl)furan-2-carboxamide, N-{[2-(butan-2-yl)phenyl]carbamothioyl}-5-(3-nitrophenyl)furan-2-carboxamide
| Molecular Formula | C22H21N3O4S |
|---|---|
| Molecular Weight | 423.13 g/mol |
| LogP | 5.4951 |
| Topological Polar Surface Area | 97.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.12527 |
| Heavy Atoms | 30 |
| Complexity | 1093.2465 |
Chemical Identifiers
| CAS Number | 638162-60-4 |
|---|---|
| SMILES | CCC(C)C1=CC=CC=C1NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
N-{[2-(butan-2-yl)phenyl]carbamothioyl}-5-(3-nitrophenyl)furan-2-carboxamide (CAS 638162-60-4), with molecular formula C22H21N3O4S and molecular weight 423.13 g/mol. IUPAC: N-[(2-butan-2-ylphenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide.
Chemical Property Profile of N-{[2-(butan-2-yl)phenyl]carbamothioyl}-5-(3-nitrophenyl)furan-2-carboxamide
Property Insights of N-{[2-(butan-2-yl)phenyl]carbamothioyl}-5-(3-nitrophenyl)furan-2-carboxamide
The XLogP value of 5.4951 indicates that N-{[2-(butan-2-yl)phenyl]carbamothioyl}-5-(3-nitrophenyl)furan-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.41 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{[2-(butan-2-yl)phenyl]carbamothioyl}-5-(3-nitrophenyl)furan-2-carboxamide. Following Lipinski's Rule of Five, N-{[2-(butan-2-yl)phenyl]carbamothioyl}-5-(3-nitrophenyl)furan-2-carboxamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-{[2-(butan-2-yl)phenyl]carbamothioyl}-5-(3-nitrophenyl)furan-2-carboxamide?
The CAS number of N-{[2-(butan-2-yl)phenyl]carbamothioyl}-5-(3-nitrophenyl)furan-2-carboxamide is 638162-60-4.
What is the molecular formula of N-{[2-(butan-2-yl)phenyl]carbamothioyl}-5-(3-nitrophenyl)furan-2-carboxamide?
The molecular formula of N-{[2-(butan-2-yl)phenyl]carbamothioyl}-5-(3-nitrophenyl)furan-2-carboxamide is C22H21N3O4S.
What is the molecular weight of N-{[2-(butan-2-yl)phenyl]carbamothioyl}-5-(3-nitrophenyl)furan-2-carboxamide?
The molecular weight of N-{[2-(butan-2-yl)phenyl]carbamothioyl}-5-(3-nitrophenyl)furan-2-carboxamide is 423.13 g/mol.
Where can I buy N-{[2-(butan-2-yl)phenyl]carbamothioyl}-5-(3-nitrophenyl)furan-2-carboxamide?
You can request a quote for N-{[2-(butan-2-yl)phenyl]carbamothioyl}-5-(3-nitrophenyl)furan-2-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-(butan-2-yl)phenyl]carbamothioyl}-5-(3-nitrophenyl)furan-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-{[2-(butan-2-yl)phenyl]carbamothioyl}-5-(3-nitrophenyl)furan-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.