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N-[(4-methoxyphenyl)carbamothioyl]-2-nitrobenzamide
TL;DR: N-[(4-methoxyphenyl)carbamothioyl]-2-nitrobenzamide (CAS 428490-96-4) is a chemical compound with molecular formula C15H13N3O4S and molecular weight 331.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-methoxyphenyl)carbamothioyl]-2-nitrobenzamide
Also Known As: N-[(4-methoxyphenyl)carbamothioyl]-2-nitrobenzamide, AB00108820-01, N-{[(4-methoxyphenyl)amino]carbonothioyl}-2-nitrobenzamide
| Molecular Formula | C15H13N3O4S |
|---|---|
| Molecular Weight | 331.06 g/mol |
| LogP | 2.7302 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.06268 |
| Heavy Atoms | 23 |
| Complexity | 746.64215 |
Chemical Identifiers
| CAS Number | 428490-96-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-] |
Product Overview
N-[(4-methoxyphenyl)carbamothioyl]-2-nitrobenzamide (CAS 428490-96-4), with molecular formula C15H13N3O4S and molecular weight 331.06 g/mol. IUPAC: N-[(4-methoxyphenyl)carbamothioyl]-2-nitrobenzamide.
Chemical Property Profile of N-[(4-methoxyphenyl)carbamothioyl]-2-nitrobenzamide
Property Insights of N-[(4-methoxyphenyl)carbamothioyl]-2-nitrobenzamide
The XLogP value of 2.7302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(4-methoxyphenyl)carbamothioyl]-2-nitrobenzamide. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-methoxyphenyl)carbamothioyl]-2-nitrobenzamide. Following Lipinski's Rule of Five, N-[(4-methoxyphenyl)carbamothioyl]-2-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-[(4-methoxyphenyl)carbamothioyl]-2-nitrobenzamide?
The CAS number of N-[(4-methoxyphenyl)carbamothioyl]-2-nitrobenzamide is 428490-96-4.
What is the molecular formula of N-[(4-methoxyphenyl)carbamothioyl]-2-nitrobenzamide?
The molecular formula of N-[(4-methoxyphenyl)carbamothioyl]-2-nitrobenzamide is C15H13N3O4S.
What is the molecular weight of N-[(4-methoxyphenyl)carbamothioyl]-2-nitrobenzamide?
The molecular weight of N-[(4-methoxyphenyl)carbamothioyl]-2-nitrobenzamide is 331.06 g/mol.
Where can I buy N-[(4-methoxyphenyl)carbamothioyl]-2-nitrobenzamide?
You can request a quote for N-[(4-methoxyphenyl)carbamothioyl]-2-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-methoxyphenyl)carbamothioyl]-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-methoxyphenyl)carbamothioyl]-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.