![methyl 3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]thiophene-2-carboxylate structure](/static/products/5444/544464-96-2.webp)
methyl 3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]thiophene-2-carboxylate
TL;DR: methyl 3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]thiophene-2-carboxylate (CAS 544464-96-2) is a chemical compound with molecular formula C15H12BrNO3S and molecular weight 364.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]thiophene-2-carboxylate
Also Known As: methyl 3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]thiophene-2-carboxylate, methyl 3-[(2E)-3-(4-bromophenyl)prop-2-enoylamino]thiophene-2-carboxylate, methyl 3-{[(2E)-3-(4-bromophenyl)prop-2-enoyl]amino}thiophene-2-carboxylate
| Molecular Formula | C15H12BrNO3S |
|---|---|
| Molecular Weight | 364.97 g/mol |
| LogP | 3.9491 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.97214 |
| Heavy Atoms | 21 |
| Complexity | 676.4821 |
Chemical Identifiers
| CAS Number | 544464-96-2 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)NC(=O)/C=C/C2=CC=C(C=C2)Br |
Product Overview
methyl 3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]thiophene-2-carboxylate (CAS 544464-96-2), with molecular formula C15H12BrNO3S and molecular weight 364.97 g/mol. IUPAC: methyl 3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]thiophene-2-carboxylate.
Chemical Property Profile of methyl 3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]thiophene-2-carboxylate
Property Insights of methyl 3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]thiophene-2-carboxylate
The XLogP value of 3.9491 indicates that methyl 3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, methyl 3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]thiophene-2-carboxylate has 1 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 3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]thiophene-2-carboxylate?
The CAS number of methyl 3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]thiophene-2-carboxylate is 544464-96-2.
What is the molecular formula of methyl 3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]thiophene-2-carboxylate?
The molecular formula of methyl 3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]thiophene-2-carboxylate is C15H12BrNO3S.
What is the molecular weight of methyl 3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]thiophene-2-carboxylate?
The molecular weight of methyl 3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]thiophene-2-carboxylate is 364.97 g/mol.
Where can I buy methyl 3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]thiophene-2-carboxylate?
You can request a quote for methyl 3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.