![methyl 4-({[(2E)-3-(thiophen-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate structure](/static/products/330/330579-99-2.png)
methyl 4-({[(2E)-3-(thiophen-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate
TL;DR: methyl 4-({[(2E)-3-(thiophen-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate (CAS 330579-99-2) is a chemical compound with molecular formula C16H14N2O3S2 and molecular weight 346.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzoate
Also Known As: BAS 00286639, (E)-methyl 4-(3-(3-(thiophen-2-yl)acryloyl)thioureido)benzoate, 4-[3-(3-Thiophen-2-yl-acryloyl)-thioureido]-benzoic acid methyl ester, methyl 4-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzoate, methyl 4-({[(2E)-3-(thiophen-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate
| Molecular Formula | C16H14N2O3S2 |
|---|---|
| Molecular Weight | 346.04 g/mol |
| LogP | 3.0611 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.0446 |
| Heavy Atoms | 23 |
| Complexity | 722.29346 |
Chemical Identifiers
| CAS Number | 330579-99-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CS2 |
Product Overview
methyl 4-({[(2E)-3-(thiophen-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate (CAS 330579-99-2), with molecular formula C16H14N2O3S2 and molecular weight 346.04 g/mol. IUPAC: methyl 4-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzoate.
Chemical Property Profile of methyl 4-({[(2E)-3-(thiophen-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate
Property Insights of methyl 4-({[(2E)-3-(thiophen-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate
The XLogP value of 3.0611 indicates that methyl 4-({[(2E)-3-(thiophen-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-({[(2E)-3-(thiophen-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate. Following Lipinski's Rule of Five, methyl 4-({[(2E)-3-(thiophen-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate 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 methyl 4-({[(2E)-3-(thiophen-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate?
The CAS number of methyl 4-({[(2E)-3-(thiophen-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate is 330579-99-2.
What is the molecular formula of methyl 4-({[(2E)-3-(thiophen-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate?
The molecular formula of methyl 4-({[(2E)-3-(thiophen-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate is C16H14N2O3S2.
What is the molecular weight of methyl 4-({[(2E)-3-(thiophen-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate?
The molecular weight of methyl 4-({[(2E)-3-(thiophen-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate is 346.04 g/mol.
Where can I buy methyl 4-({[(2E)-3-(thiophen-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate?
You can request a quote for methyl 4-({[(2E)-3-(thiophen-2-yl)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 4-({[(2E)-3-(thiophen-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-({[(2E)-3-(thiophen-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.