Methyl 5-benzyl-2-(4-methoxy-4-oxobutanamido)-4-methylthiophene-3-carboxylate
TL;DR: Methyl 5-benzyl-2-(4-methoxy-4-oxobutanamido)-4-methylthiophene-3-carboxylate (CAS 307338-96-1) is a chemical compound with molecular formula C19H21NO5S and molecular weight 375.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-benzyl-2-[(4-methoxy-4-oxobutanoyl)amino]-4-methylthiophene-3-carboxylate
Also Known As: BAS 00676173, methyl 5-benzyl-2-(4-methoxy-4-oxobutanamido)-4-methylthiophene-3-carboxylate, methyl 5-benzyl-2-[(4-methoxy-4-oxobutanoyl)amino]-4-methylthiophene-3-carboxylate, F1443-4832, methyl 3-{N-[3-(methoxycarbonyl)-4-methyl-5-benzyl-2-thienyl]carbamoyl}propano ate
| Molecular Formula | C19H21NO5S |
|---|---|
| Molecular Weight | 375.11 g/mol |
| LogP | 3.32562 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 375.11404 |
| Heavy Atoms | 26 |
| Complexity | 797.76086 |
Chemical Identifiers
| CAS Number | 307338-96-1 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)CCC(=O)OC)CC2=CC=CC=C2 |
Product Overview
Methyl 5-benzyl-2-(4-methoxy-4-oxobutanamido)-4-methylthiophene-3-carboxylate (CAS 307338-96-1), with molecular formula C19H21NO5S and molecular weight 375.11 g/mol. IUPAC: methyl 5-benzyl-2-[(4-methoxy-4-oxobutanoyl)amino]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of Methyl 5-benzyl-2-(4-methoxy-4-oxobutanamido)-4-methylthiophene-3-carboxylate
Property Insights of Methyl 5-benzyl-2-(4-methoxy-4-oxobutanamido)-4-methylthiophene-3-carboxylate
The XLogP value of 3.32562 indicates that Methyl 5-benzyl-2-(4-methoxy-4-oxobutanamido)-4-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-benzyl-2-(4-methoxy-4-oxobutanamido)-4-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, Methyl 5-benzyl-2-(4-methoxy-4-oxobutanamido)-4-methylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 6 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 5-benzyl-2-(4-methoxy-4-oxobutanamido)-4-methylthiophene-3-carboxylate?
The CAS number of Methyl 5-benzyl-2-(4-methoxy-4-oxobutanamido)-4-methylthiophene-3-carboxylate is 307338-96-1.
What is the molecular formula of Methyl 5-benzyl-2-(4-methoxy-4-oxobutanamido)-4-methylthiophene-3-carboxylate?
The molecular formula of Methyl 5-benzyl-2-(4-methoxy-4-oxobutanamido)-4-methylthiophene-3-carboxylate is C19H21NO5S.
What is the molecular weight of Methyl 5-benzyl-2-(4-methoxy-4-oxobutanamido)-4-methylthiophene-3-carboxylate?
The molecular weight of Methyl 5-benzyl-2-(4-methoxy-4-oxobutanamido)-4-methylthiophene-3-carboxylate is 375.11 g/mol.
Where can I buy Methyl 5-benzyl-2-(4-methoxy-4-oxobutanamido)-4-methylthiophene-3-carboxylate?
You can request a quote for Methyl 5-benzyl-2-(4-methoxy-4-oxobutanamido)-4-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 5-benzyl-2-(4-methoxy-4-oxobutanamido)-4-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-benzyl-2-(4-methoxy-4-oxobutanamido)-4-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.