![propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[(4-phenylbenzoyl)amino]thiophene-3-carboxylate structure](/static/products/5495/549539-97-1.webp)
propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[(4-phenylbenzoyl)amino]thiophene-3-carboxylate
TL;DR: propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[(4-phenylbenzoyl)amino]thiophene-3-carboxylate (CAS 549539-97-1) is a chemical compound with molecular formula C27H30N2O4S and molecular weight 478.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[(4-phenylbenzoyl)amino]thiophene-3-carboxylate
Also Known As: propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[(4-phenylbenzoyl)amino]thiophene-3-carboxylate, propan-2-yl 2-[(biphenyl-4-ylcarbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate, isopropyl 2-[([1,1'-biphenyl]-4-ylcarbonyl)amino]-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate, methylethyl 5-(N,N-diethylcarbamoyl)-4-methyl-2-[(4-phenylphenyl)carbonylamino ]thiophene-3-carboxylate
| Molecular Formula | C27H30N2O4S |
|---|---|
| Molecular Weight | 478.19 g/mol |
| LogP | 6.02302 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 478.19263 |
| Heavy Atoms | 34 |
| Complexity | 1163.3457 |
Chemical Identifiers
| CAS Number | 549539-97-1 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)OC(C)C)C |
Product Overview
propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[(4-phenylbenzoyl)amino]thiophene-3-carboxylate (CAS 549539-97-1), with molecular formula C27H30N2O4S and molecular weight 478.19 g/mol. IUPAC: propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[(4-phenylbenzoyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[(4-phenylbenzoyl)amino]thiophene-3-carboxylate
Property Insights of propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[(4-phenylbenzoyl)amino]thiophene-3-carboxylate
The XLogP value of 6.02302 indicates that propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[(4-phenylbenzoyl)amino]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[(4-phenylbenzoyl)amino]thiophene-3-carboxylate. Following Lipinski's Rule of Five, propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[(4-phenylbenzoyl)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 propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[(4-phenylbenzoyl)amino]thiophene-3-carboxylate?
The CAS number of propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[(4-phenylbenzoyl)amino]thiophene-3-carboxylate is 549539-97-1.
What is the molecular formula of propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[(4-phenylbenzoyl)amino]thiophene-3-carboxylate?
The molecular formula of propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[(4-phenylbenzoyl)amino]thiophene-3-carboxylate is C27H30N2O4S.
What is the molecular weight of propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[(4-phenylbenzoyl)amino]thiophene-3-carboxylate?
The molecular weight of propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[(4-phenylbenzoyl)amino]thiophene-3-carboxylate is 478.19 g/mol.
Where can I buy propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[(4-phenylbenzoyl)amino]thiophene-3-carboxylate?
You can request a quote for propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[(4-phenylbenzoyl)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 propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[(4-phenylbenzoyl)amino]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[(4-phenylbenzoyl)amino]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.