![Ethyl 4-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}benzoate structure](/static/products/7019/701965-24-4.webp)
Ethyl 4-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}benzoate
TL;DR: Ethyl 4-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}benzoate (CAS 701965-24-4) is a chemical compound with molecular formula C17H17N3O5S and molecular weight 375.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(2-methoxy-5-nitrophenyl)carbamothioylamino]benzoate
Also Known As: ethyl 4-(3-(2-methoxy-5-nitrophenyl)thioureido)benzoate, ethyl 4-[(2-methoxy-5-nitrophenyl)carbamothioylamino]benzoate, ethyl 4-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}benzoate, ethyl 4-({[(2-methoxy-5-nitrophenyl)amino]thioxomethyl}amino)benzoate
| Molecular Formula | C17H17N3O5S |
|---|---|
| Molecular Weight | 375.09 g/mol |
| LogP | 3.589 |
| Topological Polar Surface Area | 102.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.0889 |
| Heavy Atoms | 26 |
| Complexity | 823.6481 |
Chemical Identifiers
| CAS Number | 701965-24-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])OC |
Product Overview
Ethyl 4-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}benzoate (CAS 701965-24-4), with molecular formula C17H17N3O5S and molecular weight 375.09 g/mol. IUPAC: ethyl 4-[(2-methoxy-5-nitrophenyl)carbamothioylamino]benzoate.
Chemical Property Profile of Ethyl 4-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}benzoate
Property Insights of Ethyl 4-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}benzoate
The XLogP value of 3.589 indicates that Ethyl 4-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.73 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}benzoate. Following Lipinski's Rule of Five, Ethyl 4-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}benzoate has 2 hydrogen bond donor(s) and 6 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 Ethyl 4-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}benzoate?
The CAS number of Ethyl 4-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}benzoate is 701965-24-4.
What is the molecular formula of Ethyl 4-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}benzoate?
The molecular formula of Ethyl 4-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}benzoate is C17H17N3O5S.
What is the molecular weight of Ethyl 4-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}benzoate?
The molecular weight of Ethyl 4-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}benzoate is 375.09 g/mol.
Where can I buy Ethyl 4-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}benzoate?
You can request a quote for Ethyl 4-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.