![methyl 4-(4-ethylphenyl)-5-methyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate structure](/static/products/4450/445029-45-8.webp)
methyl 4-(4-ethylphenyl)-5-methyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate
TL;DR: methyl 4-(4-ethylphenyl)-5-methyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate (CAS 445029-45-8) is a chemical compound with molecular formula C29H27NO3S2 and molecular weight 501.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-ethylphenyl)-5-methyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate
Also Known As: methyl 4-(4-ethylphenyl)-5-methyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate, methyl 4-(4-ethylphenyl)-5-methyl-2-{[phenyl(phenylsulfanyl)acetyl]amino}-3-thiophenecarboxylate, methyl 4-(4-ethylphenyl)-5-methyl-2-{[phenyl(phenylsulfanyl)acetyl]amino}thiophene-3-carboxylate, methyl 4-(4-ethylphenyl)-5-methyl-2-(2-phenyl-2-phenylthioacetylamino)thiophen e-3-carboxylate
| Molecular Formula | C29H27NO3S2 |
|---|---|
| Molecular Weight | 501.14 g/mol |
| LogP | 7.54462 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 501.14325 |
| Heavy Atoms | 35 |
| Complexity | 1299.2786 |
Chemical Identifiers
| CAS Number | 445029-45-8 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4)C |
Product Overview
methyl 4-(4-ethylphenyl)-5-methyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate (CAS 445029-45-8), with molecular formula C29H27NO3S2 and molecular weight 501.14 g/mol. IUPAC: methyl 4-(4-ethylphenyl)-5-methyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of methyl 4-(4-ethylphenyl)-5-methyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate
Property Insights of methyl 4-(4-ethylphenyl)-5-methyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate
The XLogP value of 7.54462 indicates that methyl 4-(4-ethylphenyl)-5-methyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-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 4-(4-ethylphenyl)-5-methyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-(4-ethylphenyl)-5-methyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 4-(4-ethylphenyl)-5-methyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate?
The CAS number of methyl 4-(4-ethylphenyl)-5-methyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate is 445029-45-8.
What is the molecular formula of methyl 4-(4-ethylphenyl)-5-methyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate?
The molecular formula of methyl 4-(4-ethylphenyl)-5-methyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate is C29H27NO3S2.
What is the molecular weight of methyl 4-(4-ethylphenyl)-5-methyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate?
The molecular weight of methyl 4-(4-ethylphenyl)-5-methyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate is 501.14 g/mol.
Where can I buy methyl 4-(4-ethylphenyl)-5-methyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate?
You can request a quote for methyl 4-(4-ethylphenyl)-5-methyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-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 4-(4-ethylphenyl)-5-methyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(4-ethylphenyl)-5-methyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.