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N-[(2-cyanophenyl)carbamothioyl]-4-nitrobenzamide
TL;DR: N-[(2-cyanophenyl)carbamothioyl]-4-nitrobenzamide (CAS 642948-45-6) is a chemical compound with molecular formula C15H10N4O3S and molecular weight 326.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-cyanophenyl)carbamothioyl]-4-nitrobenzamide
Also Known As: N-[(2-cyanophenyl)carbamothioyl]-4-nitrobenzamide, N-{[(2-cyanophenyl)amino]carbonothioyl}-4-nitrobenzamide
| Molecular Formula | C15H10N4O3S |
|---|---|
| Molecular Weight | 326.05 g/mol |
| LogP | 2.59328 |
| Topological Polar Surface Area | 108.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.04736 |
| Heavy Atoms | 23 |
| Complexity | 812.21686 |
Chemical Identifiers
| CAS Number | 642948-45-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
N-[(2-cyanophenyl)carbamothioyl]-4-nitrobenzamide (CAS 642948-45-6), with molecular formula C15H10N4O3S and molecular weight 326.05 g/mol. IUPAC: N-[(2-cyanophenyl)carbamothioyl]-4-nitrobenzamide.
Chemical Property Profile of N-[(2-cyanophenyl)carbamothioyl]-4-nitrobenzamide
Property Insights of N-[(2-cyanophenyl)carbamothioyl]-4-nitrobenzamide
The XLogP value of 2.59328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(2-cyanophenyl)carbamothioyl]-4-nitrobenzamide. The TPSA of 108.06 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(2-cyanophenyl)carbamothioyl]-4-nitrobenzamide. Following Lipinski's Rule of Five, N-[(2-cyanophenyl)carbamothioyl]-4-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-cyanophenyl)carbamothioyl]-4-nitrobenzamide?
The CAS number of N-[(2-cyanophenyl)carbamothioyl]-4-nitrobenzamide is 642948-45-6.
What is the molecular formula of N-[(2-cyanophenyl)carbamothioyl]-4-nitrobenzamide?
The molecular formula of N-[(2-cyanophenyl)carbamothioyl]-4-nitrobenzamide is C15H10N4O3S.
What is the molecular weight of N-[(2-cyanophenyl)carbamothioyl]-4-nitrobenzamide?
The molecular weight of N-[(2-cyanophenyl)carbamothioyl]-4-nitrobenzamide is 326.05 g/mol.
Where can I buy N-[(2-cyanophenyl)carbamothioyl]-4-nitrobenzamide?
You can request a quote for N-[(2-cyanophenyl)carbamothioyl]-4-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-cyanophenyl)carbamothioyl]-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(2-cyanophenyl)carbamothioyl]-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.