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Methyl 3-(4-isopropylphenyl)-3-[(2-thienylcarbonyl)amino]propanoate
TL;DR: Methyl 3-(4-isopropylphenyl)-3-[(2-thienylcarbonyl)amino]propanoate (CAS 477858-90-5) is a chemical compound with molecular formula C18H21NO3S and molecular weight 331.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-propan-2-ylphenyl)-3-(thiophene-2-carbonylamino)propanoate
Also Known As: methyl 3-(4-isopropylphenyl)-3-[(2-thienylcarbonyl)amino]propanoate, methyl 3-[4-(propan-2-yl)phenyl]-3-[(thiophen-2-yl)formamido]propanoate, 11R-0605, methyl 3-(4-propan-2-ylphenyl)-3-(thiophene-2-carbonylamino)propanoate, methyl 3-(4-isopropylphenyl)-3-(thiophene-2-carbonylamino)propanoate
| Molecular Formula | C18H21NO3S |
|---|---|
| Molecular Weight | 331.12 g/mol |
| LogP | 3.9057 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.1242 |
| Heavy Atoms | 23 |
| Complexity | 647.416 |
Chemical Identifiers
| CAS Number | 477858-90-5 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C(CC(=O)OC)NC(=O)C2=CC=CS2 |
Product Overview
Methyl 3-(4-isopropylphenyl)-3-[(2-thienylcarbonyl)amino]propanoate (CAS 477858-90-5), with molecular formula C18H21NO3S and molecular weight 331.12 g/mol. IUPAC: methyl 3-(4-propan-2-ylphenyl)-3-(thiophene-2-carbonylamino)propanoate.
Chemical Property Profile of Methyl 3-(4-isopropylphenyl)-3-[(2-thienylcarbonyl)amino]propanoate
Property Insights of Methyl 3-(4-isopropylphenyl)-3-[(2-thienylcarbonyl)amino]propanoate
The XLogP value of 3.9057 indicates that Methyl 3-(4-isopropylphenyl)-3-[(2-thienylcarbonyl)amino]propanoate 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-(4-isopropylphenyl)-3-[(2-thienylcarbonyl)amino]propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(4-isopropylphenyl)-3-[(2-thienylcarbonyl)amino]propanoate 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-(4-isopropylphenyl)-3-[(2-thienylcarbonyl)amino]propanoate?
The CAS number of Methyl 3-(4-isopropylphenyl)-3-[(2-thienylcarbonyl)amino]propanoate is 477858-90-5.
What is the molecular formula of Methyl 3-(4-isopropylphenyl)-3-[(2-thienylcarbonyl)amino]propanoate?
The molecular formula of Methyl 3-(4-isopropylphenyl)-3-[(2-thienylcarbonyl)amino]propanoate is C18H21NO3S.
What is the molecular weight of Methyl 3-(4-isopropylphenyl)-3-[(2-thienylcarbonyl)amino]propanoate?
The molecular weight of Methyl 3-(4-isopropylphenyl)-3-[(2-thienylcarbonyl)amino]propanoate is 331.12 g/mol.
Where can I buy Methyl 3-(4-isopropylphenyl)-3-[(2-thienylcarbonyl)amino]propanoate?
You can request a quote for Methyl 3-(4-isopropylphenyl)-3-[(2-thienylcarbonyl)amino]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(4-isopropylphenyl)-3-[(2-thienylcarbonyl)amino]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-isopropylphenyl)-3-[(2-thienylcarbonyl)amino]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.