3-nitro-N-(phenylcarbamothioyl)benzamide
TL;DR: 3-nitro-N-(phenylcarbamothioyl)benzamide (CAS 59849-17-1) is a chemical compound with molecular formula C14H11N3O3S and molecular weight 301.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-N-(phenylcarbamothioyl)benzamide
Also Known As: 3-nitro-N-(phenylcarbamothioyl)benzamide, 3-(3-nitrobenzoyl)-1-phenylthiourea, 1-(3-Nitrobenzoyl)-3-phenylthiourea, N-(anilinocarbonothioyl)-3-nitrobenzamide, J1.703.478B
| Molecular Formula | C14H11N3O3S |
|---|---|
| Molecular Weight | 301.05 g/mol |
| LogP | 2.7216 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.05212 |
| Heavy Atoms | 21 |
| Complexity | 688.8734 |
Chemical Identifiers
| CAS Number | 59849-17-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
3-nitro-N-(phenylcarbamothioyl)benzamide (CAS 59849-17-1), with molecular formula C14H11N3O3S and molecular weight 301.05 g/mol. IUPAC: 3-nitro-N-(phenylcarbamothioyl)benzamide.
Chemical Property Profile of 3-nitro-N-(phenylcarbamothioyl)benzamide
Property Insights of 3-nitro-N-(phenylcarbamothioyl)benzamide
The XLogP value of 2.7216 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-nitro-N-(phenylcarbamothioyl)benzamide. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-nitro-N-(phenylcarbamothioyl)benzamide. Following Lipinski's Rule of Five, 3-nitro-N-(phenylcarbamothioyl)benzamide has 2 hydrogen bond donor(s) and 4 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 3-nitro-N-(phenylcarbamothioyl)benzamide?
The CAS number of 3-nitro-N-(phenylcarbamothioyl)benzamide is 59849-17-1.
What is the molecular formula of 3-nitro-N-(phenylcarbamothioyl)benzamide?
The molecular formula of 3-nitro-N-(phenylcarbamothioyl)benzamide is C14H11N3O3S.
What is the molecular weight of 3-nitro-N-(phenylcarbamothioyl)benzamide?
The molecular weight of 3-nitro-N-(phenylcarbamothioyl)benzamide is 301.05 g/mol.
Where can I buy 3-nitro-N-(phenylcarbamothioyl)benzamide?
You can request a quote for 3-nitro-N-(phenylcarbamothioyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-nitro-N-(phenylcarbamothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-nitro-N-(phenylcarbamothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.