![4-butoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide structure](/static/products/4284/428474-87-7.webp)
4-butoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide
TL;DR: 4-butoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide (CAS 428474-87-7) is a chemical compound with molecular formula C19H21N3O4S and molecular weight 387.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide
Also Known As: 4-butoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide
| Molecular Formula | C19H21N3O4S |
|---|---|
| Molecular Weight | 387.13 g/mol |
| LogP | 4.20892 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 387.12527 |
| Heavy Atoms | 27 |
| Complexity | 837.34845 |
Chemical Identifiers
| CAS Number | 428474-87-7 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C |
Product Overview
4-butoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide (CAS 428474-87-7), with molecular formula C19H21N3O4S and molecular weight 387.13 g/mol. IUPAC: 4-butoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide.
Chemical Property Profile of 4-butoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide
Property Insights of 4-butoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide
The XLogP value of 4.20892 indicates that 4-butoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-butoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 4-butoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide 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 4-butoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide?
The CAS number of 4-butoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide is 428474-87-7.
What is the molecular formula of 4-butoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide?
The molecular formula of 4-butoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide is C19H21N3O4S.
What is the molecular weight of 4-butoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide?
The molecular weight of 4-butoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide is 387.13 g/mol.
Where can I buy 4-butoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide?
You can request a quote for 4-butoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-butoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-butoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.