![methyl 4-[[(E)-3-(4-bromophenyl)prop-2-enoyl]carbamothioylamino]benzoate structure](/static/products/3481/348164-91-0.webp)
methyl 4-[[(E)-3-(4-bromophenyl)prop-2-enoyl]carbamothioylamino]benzoate
TL;DR: methyl 4-[[(E)-3-(4-bromophenyl)prop-2-enoyl]carbamothioylamino]benzoate (CAS 348164-91-0) is a chemical compound with molecular formula C18H15BrN2O3S and molecular weight 418.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[(E)-3-(4-bromophenyl)prop-2-enoyl]carbamothioylamino]benzoate
Also Known As: BIM-0008280.P001, methyl 4-[[(E)-3-(4-bromophenyl)prop-2-enoyl]carbamothioylamino]benzoate, (E)-methyl 4-(3-(3-(4-bromophenyl)acryloyl)thioureido)benzoate, methyl 4-({[(2E)-3-(4-bromophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate, METHYL 4-[({[3-(4-BROMOPHENYL)ACRYLOYL]AMINO}CARBOTHIOYL)AMINO]BENZOATE
| Molecular Formula | C18H15BrN2O3S |
|---|---|
| Molecular Weight | 418.00 g/mol |
| LogP | 3.7621 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.9987 |
| Heavy Atoms | 25 |
| Complexity | 802.0758 |
Chemical Identifiers
| CAS Number | 348164-91-0 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)Br |
Product Overview
methyl 4-[[(E)-3-(4-bromophenyl)prop-2-enoyl]carbamothioylamino]benzoate (CAS 348164-91-0), with molecular formula C18H15BrN2O3S and molecular weight 418.00 g/mol. IUPAC: methyl 4-[[(E)-3-(4-bromophenyl)prop-2-enoyl]carbamothioylamino]benzoate.
Chemical Property Profile of methyl 4-[[(E)-3-(4-bromophenyl)prop-2-enoyl]carbamothioylamino]benzoate
Property Insights of methyl 4-[[(E)-3-(4-bromophenyl)prop-2-enoyl]carbamothioylamino]benzoate
The XLogP value of 3.7621 indicates that methyl 4-[[(E)-3-(4-bromophenyl)prop-2-enoyl]carbamothioylamino]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-[[(E)-3-(4-bromophenyl)prop-2-enoyl]carbamothioylamino]benzoate. Following Lipinski's Rule of Five, methyl 4-[[(E)-3-(4-bromophenyl)prop-2-enoyl]carbamothioylamino]benzoate has 2 hydrogen bond donor(s) and 4 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-[[(E)-3-(4-bromophenyl)prop-2-enoyl]carbamothioylamino]benzoate?
The CAS number of methyl 4-[[(E)-3-(4-bromophenyl)prop-2-enoyl]carbamothioylamino]benzoate is 348164-91-0.
What is the molecular formula of methyl 4-[[(E)-3-(4-bromophenyl)prop-2-enoyl]carbamothioylamino]benzoate?
The molecular formula of methyl 4-[[(E)-3-(4-bromophenyl)prop-2-enoyl]carbamothioylamino]benzoate is C18H15BrN2O3S.
What is the molecular weight of methyl 4-[[(E)-3-(4-bromophenyl)prop-2-enoyl]carbamothioylamino]benzoate?
The molecular weight of methyl 4-[[(E)-3-(4-bromophenyl)prop-2-enoyl]carbamothioylamino]benzoate is 418.00 g/mol.
Where can I buy methyl 4-[[(E)-3-(4-bromophenyl)prop-2-enoyl]carbamothioylamino]benzoate?
You can request a quote for methyl 4-[[(E)-3-(4-bromophenyl)prop-2-enoyl]carbamothioylamino]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-[[(E)-3-(4-bromophenyl)prop-2-enoyl]carbamothioylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[[(E)-3-(4-bromophenyl)prop-2-enoyl]carbamothioylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.