1-Benzoyl-3-(4-methoxy-2-nitrophenyl)-2-thiourea
TL;DR: 1-Benzoyl-3-(4-methoxy-2-nitrophenyl)-2-thiourea (CAS 75121-88-9) 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-methoxy-2-nitrophenyl)carbamothioyl]benzamide
Also Known As: Maybridge1_000717, 1-benzoyl-3-(4-methoxy-2-nitrophenyl)-2-thiourea, N-[(4-methoxy-2-nitrophenyl)carbamothioyl]benzamide, N-benzoyl-N'-(4-methoxy-2-nitrophenyl)thiourea, J1.387.510C
| 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 | 749.64215 |
Chemical Identifiers
| CAS Number | 75121-88-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2)[N+](=O)[O-] |
Product Overview
1-Benzoyl-3-(4-methoxy-2-nitrophenyl)-2-thiourea (CAS 75121-88-9), with molecular formula C15H13N3O4S and molecular weight 331.06 g/mol. IUPAC: N-[(4-methoxy-2-nitrophenyl)carbamothioyl]benzamide.
Chemical Property Profile of 1-Benzoyl-3-(4-methoxy-2-nitrophenyl)-2-thiourea
Property Insights of 1-Benzoyl-3-(4-methoxy-2-nitrophenyl)-2-thiourea
The XLogP value of 2.7302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzoyl-3-(4-methoxy-2-nitrophenyl)-2-thiourea. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzoyl-3-(4-methoxy-2-nitrophenyl)-2-thiourea. Following Lipinski's Rule of Five, 1-Benzoyl-3-(4-methoxy-2-nitrophenyl)-2-thiourea 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 1-Benzoyl-3-(4-methoxy-2-nitrophenyl)-2-thiourea?
The CAS number of 1-Benzoyl-3-(4-methoxy-2-nitrophenyl)-2-thiourea is 75121-88-9.
What is the molecular formula of 1-Benzoyl-3-(4-methoxy-2-nitrophenyl)-2-thiourea?
The molecular formula of 1-Benzoyl-3-(4-methoxy-2-nitrophenyl)-2-thiourea is C15H13N3O4S.
What is the molecular weight of 1-Benzoyl-3-(4-methoxy-2-nitrophenyl)-2-thiourea?
The molecular weight of 1-Benzoyl-3-(4-methoxy-2-nitrophenyl)-2-thiourea is 331.06 g/mol.
Where can I buy 1-Benzoyl-3-(4-methoxy-2-nitrophenyl)-2-thiourea?
You can request a quote for 1-Benzoyl-3-(4-methoxy-2-nitrophenyl)-2-thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzoyl-3-(4-methoxy-2-nitrophenyl)-2-thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzoyl-3-(4-methoxy-2-nitrophenyl)-2-thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.