![methyl 2-{[3-(4-isopropylphenyl)acryloyl]amino}-4,5-dimethyl-3-thiophenecarboxylate structure](/static/products/5446/544698-69-3.webp)
methyl 2-{[3-(4-isopropylphenyl)acryloyl]amino}-4,5-dimethyl-3-thiophenecarboxylate
TL;DR: methyl 2-{[3-(4-isopropylphenyl)acryloyl]amino}-4,5-dimethyl-3-thiophenecarboxylate (CAS 544698-69-3) is a chemical compound with molecular formula C20H23NO3S and molecular weight 357.14 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-(4-propan-2-ylphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate
Also Known As: methyl 2-{[3-(4-isopropylphenyl)acryloyl]amino}-4,5-dimethyl-3-thiophenecarboxylate, methyl 4,5-dimethyl-2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate, (E)-methyl 2-(3-(4-isopropylphenyl)acrylamido)-4,5-dimethylthiophene-3-carboxylate, methyl 2-{(2E)-3-[4-(methylethyl)phenyl]prop-2-enoylamino}-4,5-dimethylthiophe ne-3-carboxylate, methyl 4,5-dimethyl-2-({(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}amino)thiophene-3-carboxylate
| Molecular Formula | C20H23NO3S |
|---|---|
| Molecular Weight | 357.14 g/mol |
| LogP | 4.92684 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.13986 |
| Heavy Atoms | 25 |
| Complexity | 801.09393 |
Chemical Identifiers
| CAS Number | 544698-69-3 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)/C=C/C2=CC=C(C=C2)C(C)C)C |
Product Overview
methyl 2-{[3-(4-isopropylphenyl)acryloyl]amino}-4,5-dimethyl-3-thiophenecarboxylate (CAS 544698-69-3), with molecular formula C20H23NO3S and molecular weight 357.14 g/mol. IUPAC: methyl 4,5-dimethyl-2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-{[3-(4-isopropylphenyl)acryloyl]amino}-4,5-dimethyl-3-thiophenecarboxylate
Property Insights of methyl 2-{[3-(4-isopropylphenyl)acryloyl]amino}-4,5-dimethyl-3-thiophenecarboxylate
The XLogP value of 4.92684 indicates that methyl 2-{[3-(4-isopropylphenyl)acryloyl]amino}-4,5-dimethyl-3-thiophenecarboxylate 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-{[3-(4-isopropylphenyl)acryloyl]amino}-4,5-dimethyl-3-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-{[3-(4-isopropylphenyl)acryloyl]amino}-4,5-dimethyl-3-thiophenecarboxylate 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-{[3-(4-isopropylphenyl)acryloyl]amino}-4,5-dimethyl-3-thiophenecarboxylate?
The CAS number of methyl 2-{[3-(4-isopropylphenyl)acryloyl]amino}-4,5-dimethyl-3-thiophenecarboxylate is 544698-69-3.
What is the molecular formula of methyl 2-{[3-(4-isopropylphenyl)acryloyl]amino}-4,5-dimethyl-3-thiophenecarboxylate?
The molecular formula of methyl 2-{[3-(4-isopropylphenyl)acryloyl]amino}-4,5-dimethyl-3-thiophenecarboxylate is C20H23NO3S.
What is the molecular weight of methyl 2-{[3-(4-isopropylphenyl)acryloyl]amino}-4,5-dimethyl-3-thiophenecarboxylate?
The molecular weight of methyl 2-{[3-(4-isopropylphenyl)acryloyl]amino}-4,5-dimethyl-3-thiophenecarboxylate is 357.14 g/mol.
Where can I buy methyl 2-{[3-(4-isopropylphenyl)acryloyl]amino}-4,5-dimethyl-3-thiophenecarboxylate?
You can request a quote for methyl 2-{[3-(4-isopropylphenyl)acryloyl]amino}-4,5-dimethyl-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-{[3-(4-isopropylphenyl)acryloyl]amino}-4,5-dimethyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{[3-(4-isopropylphenyl)acryloyl]amino}-4,5-dimethyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.