![ethyl 2-[(4-butoxybenzoyl)amino]-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylate structure](/static/products/4452/445239-05-4.webp)
ethyl 2-[(4-butoxybenzoyl)amino]-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylate
TL;DR: ethyl 2-[(4-butoxybenzoyl)amino]-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylate (CAS 445239-05-4) is a chemical compound with molecular formula C27H31NO4S and molecular weight 465.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-butoxybenzoyl)amino]-4-(2,5-dimethylphenyl)-5-methylthiophene-3-carboxylate
Also Known As: ethyl 2-[(4-butoxybenzoyl)amino]-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylate, ethyl 2-[(4-butoxybenzoyl)amino]-4-(2,5-dimethylphenyl)-5-methylthiophene-3-carboxylate, ETHYL 2-(4-BUTOXYBENZAMIDO)-4-(2,5-DIMETHYLPHENYL)-5-METHYLTHIOPHENE-3-CARBOXYLATE, ethyl 2-{[(4-butoxyphenyl)carbonyl]amino}-4-(2,5-dimethylphenyl)-5-methylthiophene-3-carboxylate, ethyl 4-(2,5-dimethylphenyl)-2-[(4-butoxyphenyl)carbonylamino]-5-methylthiophe ne-3-carboxylate
| Molecular Formula | C27H31NO4S |
|---|---|
| Molecular Weight | 465.20 g/mol |
| LogP | 6.94826 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 465.1974 |
| Heavy Atoms | 33 |
| Complexity | 1131.7683 |
Chemical Identifiers
| CAS Number | 445239-05-4 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C(=C(S2)C)C3=C(C=CC(=C3)C)C)C(=O)OCC |
Product Overview
ethyl 2-[(4-butoxybenzoyl)amino]-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylate (CAS 445239-05-4), with molecular formula C27H31NO4S and molecular weight 465.20 g/mol. IUPAC: ethyl 2-[(4-butoxybenzoyl)amino]-4-(2,5-dimethylphenyl)-5-methylthiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-[(4-butoxybenzoyl)amino]-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylate
Property Insights of ethyl 2-[(4-butoxybenzoyl)amino]-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylate
The XLogP value of 6.94826 indicates that ethyl 2-[(4-butoxybenzoyl)amino]-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[(4-butoxybenzoyl)amino]-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylate. Following Lipinski's Rule of Five, ethyl 2-[(4-butoxybenzoyl)amino]-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylate 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 ethyl 2-[(4-butoxybenzoyl)amino]-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylate?
The CAS number of ethyl 2-[(4-butoxybenzoyl)amino]-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylate is 445239-05-4.
What is the molecular formula of ethyl 2-[(4-butoxybenzoyl)amino]-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylate?
The molecular formula of ethyl 2-[(4-butoxybenzoyl)amino]-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylate is C27H31NO4S.
What is the molecular weight of ethyl 2-[(4-butoxybenzoyl)amino]-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylate?
The molecular weight of ethyl 2-[(4-butoxybenzoyl)amino]-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylate is 465.20 g/mol.
Where can I buy ethyl 2-[(4-butoxybenzoyl)amino]-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylate?
You can request a quote for ethyl 2-[(4-butoxybenzoyl)amino]-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[(4-butoxybenzoyl)amino]-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[(4-butoxybenzoyl)amino]-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.