![methyl 2-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate structure](/static/products/4288/428859-74-9.webp)
methyl 2-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate
TL;DR: methyl 2-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate (CAS 428859-74-9) is a chemical compound with molecular formula C18H15N3O5S and molecular weight 385.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzoate
Also Known As: AB00111502-01, methyl 2-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate, (E)-methyl 2-(3-(3-(3-nitrophenyl)acryloyl)thioureido)benzoate, methyl 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzoate, methyl 2-({[(2E)-3-(3-nitrophenyl)prop-2-enoylamino]thioxomethyl}amino)benzoat e
| Molecular Formula | C18H15N3O5S |
|---|---|
| Molecular Weight | 385.07 g/mol |
| LogP | 2.9078 |
| Topological Polar Surface Area | 110.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.07324 |
| Heavy Atoms | 27 |
| Complexity | 926.718 |
Chemical Identifiers
| CAS Number | 428859-74-9 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=S)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
methyl 2-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate (CAS 428859-74-9), with molecular formula C18H15N3O5S and molecular weight 385.07 g/mol. IUPAC: methyl 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzoate.
Chemical Property Profile of methyl 2-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate
Property Insights of methyl 2-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate
The XLogP value of 2.9078 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate. The TPSA of 110.57 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate. Following Lipinski's Rule of Five, methyl 2-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]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 methyl 2-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate?
The CAS number of methyl 2-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate is 428859-74-9.
What is the molecular formula of methyl 2-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate?
The molecular formula of methyl 2-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate is C18H15N3O5S.
What is the molecular weight of methyl 2-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate?
The molecular weight of methyl 2-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate is 385.07 g/mol.
Where can I buy methyl 2-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate?
You can request a quote for methyl 2-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]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 methyl 2-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.