Dimethyl 3-methyl-5-(3-phenylpropanoylamino)thiophene-2,4-dicarboxylate
TL;DR: Dimethyl 3-methyl-5-(3-phenylpropanoylamino)thiophene-2,4-dicarboxylate (CAS 6128-31-0) is a chemical compound with molecular formula C18H19NO5S and molecular weight 361.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3-methyl-5-(3-phenylpropanoylamino)thiophene-2,4-dicarboxylate
Also Known As: BIM-0046438.P001, dimethyl 3-methyl-5-(3-phenylpropanoylamino)thiophene-2,4-dicarboxylate, dimethyl 3-methyl-5-[(3-phenylpropanoyl)amino]thiophene-2,4-dicarboxylate, dimethyl 3-methyl-5-(3-phenylpropanamido)thiophene-2,4-dicarboxylate, dimethyl 3-methyl-5-[(3-phenylpropanoyl)amino]-2,4-thiophenedicarboxylate
| Molecular Formula | C18H19NO5S |
|---|---|
| Molecular Weight | 361.10 g/mol |
| LogP | 3.20102 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 361.0984 |
| Heavy Atoms | 25 |
| Complexity | 782.26416 |
Chemical Identifiers
| CAS Number | 6128-31-0 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)CCC2=CC=CC=C2)C(=O)OC |
Product Overview
Dimethyl 3-methyl-5-(3-phenylpropanoylamino)thiophene-2,4-dicarboxylate (CAS 6128-31-0), with molecular formula C18H19NO5S and molecular weight 361.10 g/mol. IUPAC: dimethyl 3-methyl-5-(3-phenylpropanoylamino)thiophene-2,4-dicarboxylate.
Chemical Property Profile of Dimethyl 3-methyl-5-(3-phenylpropanoylamino)thiophene-2,4-dicarboxylate
Property Insights of Dimethyl 3-methyl-5-(3-phenylpropanoylamino)thiophene-2,4-dicarboxylate
The XLogP value of 3.20102 indicates that Dimethyl 3-methyl-5-(3-phenylpropanoylamino)thiophene-2,4-dicarboxylate 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 Dimethyl 3-methyl-5-(3-phenylpropanoylamino)thiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 3-methyl-5-(3-phenylpropanoylamino)thiophene-2,4-dicarboxylate 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 Dimethyl 3-methyl-5-(3-phenylpropanoylamino)thiophene-2,4-dicarboxylate?
The CAS number of Dimethyl 3-methyl-5-(3-phenylpropanoylamino)thiophene-2,4-dicarboxylate is 6128-31-0.
What is the molecular formula of Dimethyl 3-methyl-5-(3-phenylpropanoylamino)thiophene-2,4-dicarboxylate?
The molecular formula of Dimethyl 3-methyl-5-(3-phenylpropanoylamino)thiophene-2,4-dicarboxylate is C18H19NO5S.
What is the molecular weight of Dimethyl 3-methyl-5-(3-phenylpropanoylamino)thiophene-2,4-dicarboxylate?
The molecular weight of Dimethyl 3-methyl-5-(3-phenylpropanoylamino)thiophene-2,4-dicarboxylate is 361.10 g/mol.
Where can I buy Dimethyl 3-methyl-5-(3-phenylpropanoylamino)thiophene-2,4-dicarboxylate?
You can request a quote for Dimethyl 3-methyl-5-(3-phenylpropanoylamino)thiophene-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 3-methyl-5-(3-phenylpropanoylamino)thiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 3-methyl-5-(3-phenylpropanoylamino)thiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.