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N-[(4-chlorophenyl)carbamothioyl]-4-nitrobenzamide
TL;DR: N-[(4-chlorophenyl)carbamothioyl]-4-nitrobenzamide (CAS 59849-30-8) is a chemical compound with molecular formula C14H10ClN3O3S and molecular weight 335.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)carbamothioyl]-4-nitrobenzamide
Also Known As: N-[(4-chlorophenyl)carbamothioyl]-4-nitrobenzamide, BIM-0049421.P001, N-p-nitrobenzoyl-N'-p-chlorophenylthiourea, N-(4-chlorophenyl)-N'-(4-nitrobenzoyl)thiourea, AE-641/01167035
| Molecular Formula | C14H10ClN3O3S |
|---|---|
| Molecular Weight | 335.01 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.01315 |
| Heavy Atoms | 22 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 59849-30-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | GYKVYASPZLYFRG-UHFFFAOYSA-N |
Product Overview
N-[(4-chlorophenyl)carbamothioyl]-4-nitrobenzamide (CAS 59849-30-8), with molecular formula C14H10ClN3O3S and molecular weight 335.01 g/mol. IUPAC: N-[(4-chlorophenyl)carbamothioyl]-4-nitrobenzamide.
Chemical Property Profile of N-[(4-chlorophenyl)carbamothioyl]-4-nitrobenzamide
Property Insights of N-[(4-chlorophenyl)carbamothioyl]-4-nitrobenzamide
The XLogP value of 4.0 indicates that N-[(4-chlorophenyl)carbamothioyl]-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-chlorophenyl)carbamothioyl]-4-nitrobenzamide. Following Lipinski's Rule of Five, N-[(4-chlorophenyl)carbamothioyl]-4-nitrobenzamide 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 N-[(4-chlorophenyl)carbamothioyl]-4-nitrobenzamide?
The CAS number of N-[(4-chlorophenyl)carbamothioyl]-4-nitrobenzamide is 59849-30-8.
What is the molecular formula of N-[(4-chlorophenyl)carbamothioyl]-4-nitrobenzamide?
The molecular formula of N-[(4-chlorophenyl)carbamothioyl]-4-nitrobenzamide is C14H10ClN3O3S.
What is the molecular weight of N-[(4-chlorophenyl)carbamothioyl]-4-nitrobenzamide?
The molecular weight of N-[(4-chlorophenyl)carbamothioyl]-4-nitrobenzamide is 335.01 g/mol.
Where can I buy N-[(4-chlorophenyl)carbamothioyl]-4-nitrobenzamide?
You can request a quote for N-[(4-chlorophenyl)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-[(4-chlorophenyl)carbamothioyl]-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-chlorophenyl)carbamothioyl]-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.