![methyl 4-(4-chlorophenyl)-2-{[(3,4-dimethoxyphenyl)acetyl]amino}-5-methylthiophene-3-carboxylate structure](/static/products/4450/445002-82-4.webp)
methyl 4-(4-chlorophenyl)-2-{[(3,4-dimethoxyphenyl)acetyl]amino}-5-methylthiophene-3-carboxylate
TL;DR: methyl 4-(4-chlorophenyl)-2-{[(3,4-dimethoxyphenyl)acetyl]amino}-5-methylthiophene-3-carboxylate (CAS 445002-82-4) is a chemical compound with molecular formula C23H22ClNO5S and molecular weight 459.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-chlorophenyl)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-5-methylthiophene-3-carboxylate
Also Known As: methyl 4-(4-chlorophenyl)-2-{[(3,4-dimethoxyphenyl)acetyl]amino}-5-methylthiophene-3-carboxylate, methyl 4-(4-chlorophenyl)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-5-methylthiophene-3-carboxylate, methyl 2-[2-(3,4-dimethoxyphenyl)acetylamino]-4-(4-chlorophenyl)-5-methylthiop hene-3-carboxylate, methyl 4-(4-chlorophenyl)-2-(2-(3,4-dimethoxyphenyl)acetamido)-5-methylthiophene-3-carboxylate
| Molecular Formula | C23H22ClNO5S |
|---|---|
| Molecular Weight | 459.09 g/mol |
| LogP | 5.36192 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.09073 |
| Heavy Atoms | 31 |
| Complexity | 1107.8998 |
Chemical Identifiers
| CAS Number | 445002-82-4 |
|---|---|
| SMILES | CC1=C(C(=C(S1)NC(=O)CC2=CC(=C(C=C2)OC)OC)C(=O)OC)C3=CC=C(C=C3)Cl |
Product Overview
methyl 4-(4-chlorophenyl)-2-{[(3,4-dimethoxyphenyl)acetyl]amino}-5-methylthiophene-3-carboxylate (CAS 445002-82-4), with molecular formula C23H22ClNO5S and molecular weight 459.09 g/mol. IUPAC: methyl 4-(4-chlorophenyl)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-5-methylthiophene-3-carboxylate.
Chemical Property Profile of methyl 4-(4-chlorophenyl)-2-{[(3,4-dimethoxyphenyl)acetyl]amino}-5-methylthiophene-3-carboxylate
Property Insights of methyl 4-(4-chlorophenyl)-2-{[(3,4-dimethoxyphenyl)acetyl]amino}-5-methylthiophene-3-carboxylate
The XLogP value of 5.36192 indicates that methyl 4-(4-chlorophenyl)-2-{[(3,4-dimethoxyphenyl)acetyl]amino}-5-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(4-chlorophenyl)-2-{[(3,4-dimethoxyphenyl)acetyl]amino}-5-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 4-(4-chlorophenyl)-2-{[(3,4-dimethoxyphenyl)acetyl]amino}-5-methylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 6 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-chlorophenyl)-2-{[(3,4-dimethoxyphenyl)acetyl]amino}-5-methylthiophene-3-carboxylate?
The CAS number of methyl 4-(4-chlorophenyl)-2-{[(3,4-dimethoxyphenyl)acetyl]amino}-5-methylthiophene-3-carboxylate is 445002-82-4.
What is the molecular formula of methyl 4-(4-chlorophenyl)-2-{[(3,4-dimethoxyphenyl)acetyl]amino}-5-methylthiophene-3-carboxylate?
The molecular formula of methyl 4-(4-chlorophenyl)-2-{[(3,4-dimethoxyphenyl)acetyl]amino}-5-methylthiophene-3-carboxylate is C23H22ClNO5S.
What is the molecular weight of methyl 4-(4-chlorophenyl)-2-{[(3,4-dimethoxyphenyl)acetyl]amino}-5-methylthiophene-3-carboxylate?
The molecular weight of methyl 4-(4-chlorophenyl)-2-{[(3,4-dimethoxyphenyl)acetyl]amino}-5-methylthiophene-3-carboxylate is 459.09 g/mol.
Where can I buy methyl 4-(4-chlorophenyl)-2-{[(3,4-dimethoxyphenyl)acetyl]amino}-5-methylthiophene-3-carboxylate?
You can request a quote for methyl 4-(4-chlorophenyl)-2-{[(3,4-dimethoxyphenyl)acetyl]amino}-5-methylthiophene-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-chlorophenyl)-2-{[(3,4-dimethoxyphenyl)acetyl]amino}-5-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(4-chlorophenyl)-2-{[(3,4-dimethoxyphenyl)acetyl]amino}-5-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.