methyl 2-((2E)-3-phenylprop-2-enoylamino)-4,5-dimethylthiophene-3-carboxylate
TL;DR: methyl 2-((2E)-3-phenylprop-2-enoylamino)-4,5-dimethylthiophene-3-carboxylate (CAS 420094-71-9) is a chemical compound with molecular formula C17H17NO3S and molecular weight 315.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]thiophene-3-carboxylate
Also Known As: methyl 2-cinnamamido-4,5-dimethylthiophene-3-carboxylate, methyl 2-((2E)-3-phenylprop-2-enoylamino)-4,5-dimethylthiophene-3-carboxylate, methyl 4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]thiophene-3-carboxylate, methyl 4,5-dimethyl-2-{[(2E)-3-phenylprop-2-enoyl]amino}thiophene-3-carboxylate
| Molecular Formula | C17H17NO3S |
|---|---|
| Molecular Weight | 315.09 g/mol |
| LogP | 3.80344 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.09293 |
| Heavy Atoms | 22 |
| Complexity | 717.0053 |
Chemical Identifiers
| CAS Number | 420094-71-9 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)/C=C/C2=CC=CC=C2)C |
Product Overview
methyl 2-((2E)-3-phenylprop-2-enoylamino)-4,5-dimethylthiophene-3-carboxylate (CAS 420094-71-9), with molecular formula C17H17NO3S and molecular weight 315.09 g/mol. IUPAC: methyl 4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-((2E)-3-phenylprop-2-enoylamino)-4,5-dimethylthiophene-3-carboxylate
Property Insights of methyl 2-((2E)-3-phenylprop-2-enoylamino)-4,5-dimethylthiophene-3-carboxylate
The XLogP value of 3.80344 indicates that methyl 2-((2E)-3-phenylprop-2-enoylamino)-4,5-dimethylthiophene-3-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 2-((2E)-3-phenylprop-2-enoylamino)-4,5-dimethylthiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-((2E)-3-phenylprop-2-enoylamino)-4,5-dimethylthiophene-3-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 2-((2E)-3-phenylprop-2-enoylamino)-4,5-dimethylthiophene-3-carboxylate?
The CAS number of methyl 2-((2E)-3-phenylprop-2-enoylamino)-4,5-dimethylthiophene-3-carboxylate is 420094-71-9.
What is the molecular formula of methyl 2-((2E)-3-phenylprop-2-enoylamino)-4,5-dimethylthiophene-3-carboxylate?
The molecular formula of methyl 2-((2E)-3-phenylprop-2-enoylamino)-4,5-dimethylthiophene-3-carboxylate is C17H17NO3S.
What is the molecular weight of methyl 2-((2E)-3-phenylprop-2-enoylamino)-4,5-dimethylthiophene-3-carboxylate?
The molecular weight of methyl 2-((2E)-3-phenylprop-2-enoylamino)-4,5-dimethylthiophene-3-carboxylate is 315.09 g/mol.
Where can I buy methyl 2-((2E)-3-phenylprop-2-enoylamino)-4,5-dimethylthiophene-3-carboxylate?
You can request a quote for methyl 2-((2E)-3-phenylprop-2-enoylamino)-4,5-dimethylthiophene-3-carboxylate 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-phenylprop-2-enoylamino)-4,5-dimethylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-((2E)-3-phenylprop-2-enoylamino)-4,5-dimethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.