![N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide structure](/static/products/5350/53501-41-0.webp)
N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide
TL;DR: N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide (CAS 53501-41-0) is a chemical compound with molecular formula C14H10ClN3O4S and molecular weight 351.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide
Also Known As: PIT 1, PIT1, Impentamine dihydrobromide, PIT-1;PIT1, PIT 1/
| Molecular Formula | C14H10ClN3O4S |
|---|---|
| Molecular Weight | 351.01 g/mol |
| LogP | 3.0806 |
| Topological Polar Surface Area | 104.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.00806 |
| Heavy Atoms | 23 |
| Complexity | 783.0919 |
Chemical Identifiers
| CAS Number | 53501-41-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC(=C2)[N+](=O)[O-])Cl)O |
Product Overview
N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide (CAS 53501-41-0), with molecular formula C14H10ClN3O4S and molecular weight 351.01 g/mol. IUPAC: N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide.
Chemical Property Profile of N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide
Property Insights of N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide
The XLogP value of 3.0806 indicates that N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide has 3 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-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide?
The CAS number of N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide is 53501-41-0.
What is the molecular formula of N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide?
The molecular formula of N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide is C14H10ClN3O4S.
What is the molecular weight of N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide?
The molecular weight of N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide is 351.01 g/mol.
Where can I buy N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide?
You can request a quote for N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.