![N-[(2,4-dimethylphenyl)(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide structure](/static/products/817/817564-19-5.png)
N-[(2,4-dimethylphenyl)(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide
TL;DR: N-[(2,4-dimethylphenyl)(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide (CAS 817564-19-5) is a chemical compound with molecular formula C20H23N3O4S and molecular weight 401.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2,4-dimethylphenyl)-(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide
Also Known As: N-{[(2,4-dimethylphenyl)(4-hydroxybutyl)amino]carbonothioyl}-3-nitrobenzamide, N-[(2,4-dimethylphenyl)(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide, N-[(2,4-dimethylphenyl)-(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide, N-[(2,4-dimethylphenyl)-(4-hydroxybutyl)thiocarbamoyl]-3-nitro-benzamide
| Molecular Formula | C20H23N3O4S |
|---|---|
| Molecular Weight | 401.14 g/mol |
| LogP | 3.50544 |
| Topological Polar Surface Area | 95.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.14093 |
| Heavy Atoms | 28 |
| Complexity | 885.5046 |
Chemical Identifiers
| CAS Number | 817564-19-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N(CCCCO)C(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C |
Product Overview
N-[(2,4-dimethylphenyl)(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide (CAS 817564-19-5), with molecular formula C20H23N3O4S and molecular weight 401.14 g/mol. IUPAC: N-[(2,4-dimethylphenyl)-(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide.
Chemical Property Profile of N-[(2,4-dimethylphenyl)(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide
Property Insights of N-[(2,4-dimethylphenyl)(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide
The XLogP value of 3.50544 indicates that N-[(2,4-dimethylphenyl)(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.71 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(2,4-dimethylphenyl)(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide. Following Lipinski's Rule of Five, N-[(2,4-dimethylphenyl)(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide 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-[(2,4-dimethylphenyl)(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide?
The CAS number of N-[(2,4-dimethylphenyl)(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide is 817564-19-5.
What is the molecular formula of N-[(2,4-dimethylphenyl)(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide?
The molecular formula of N-[(2,4-dimethylphenyl)(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide is C20H23N3O4S.
What is the molecular weight of N-[(2,4-dimethylphenyl)(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide?
The molecular weight of N-[(2,4-dimethylphenyl)(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide is 401.14 g/mol.
Where can I buy N-[(2,4-dimethylphenyl)(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide?
You can request a quote for N-[(2,4-dimethylphenyl)(4-hydroxybutyl)carbamothioyl]-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-[(2,4-dimethylphenyl)(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(2,4-dimethylphenyl)(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.