Diethyl 3-methyl-5-(3-phenoxypropanoylamino)thiophene-2,4-dicarboxylate
TL;DR: Diethyl 3-methyl-5-(3-phenoxypropanoylamino)thiophene-2,4-dicarboxylate (CAS 301305-03-3) is a chemical compound with molecular formula C20H23NO6S and molecular weight 405.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-methyl-5-(3-phenoxypropanoylamino)thiophene-2,4-dicarboxylate
Also Known As: BAS 00837711, BIM-0030988.P001, 2,4-diethyl 3-methyl-5-(3-phenoxypropanamido)thiophene-2,4-dicarboxylate, diethyl 3-methyl-5-(3-phenoxypropanoylamino)thiophene-2,4-dicarboxylate, diethyl 3-methyl-5-{[3-(phenyloxy)propanoyl]amino}thiophene-2,4-dicarboxylate
| Molecular Formula | C20H23NO6S |
|---|---|
| Molecular Weight | 405.12 g/mol |
| LogP | 3.81752 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 405.1246 |
| Heavy Atoms | 28 |
| Complexity | 830.7215 |
Chemical Identifiers
| CAS Number | 301305-03-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCOC2=CC=CC=C2 |
Product Overview
Diethyl 3-methyl-5-(3-phenoxypropanoylamino)thiophene-2,4-dicarboxylate (CAS 301305-03-3), with molecular formula C20H23NO6S and molecular weight 405.12 g/mol. IUPAC: diethyl 3-methyl-5-(3-phenoxypropanoylamino)thiophene-2,4-dicarboxylate.
Chemical Property Profile of Diethyl 3-methyl-5-(3-phenoxypropanoylamino)thiophene-2,4-dicarboxylate
Property Insights of Diethyl 3-methyl-5-(3-phenoxypropanoylamino)thiophene-2,4-dicarboxylate
The XLogP value of 3.81752 indicates that Diethyl 3-methyl-5-(3-phenoxypropanoylamino)thiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 3-methyl-5-(3-phenoxypropanoylamino)thiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 3-methyl-5-(3-phenoxypropanoylamino)thiophene-2,4-dicarboxylate has 1 hydrogen bond donor(s) and 7 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 Diethyl 3-methyl-5-(3-phenoxypropanoylamino)thiophene-2,4-dicarboxylate?
The CAS number of Diethyl 3-methyl-5-(3-phenoxypropanoylamino)thiophene-2,4-dicarboxylate is 301305-03-3.
What is the molecular formula of Diethyl 3-methyl-5-(3-phenoxypropanoylamino)thiophene-2,4-dicarboxylate?
The molecular formula of Diethyl 3-methyl-5-(3-phenoxypropanoylamino)thiophene-2,4-dicarboxylate is C20H23NO6S.
What is the molecular weight of Diethyl 3-methyl-5-(3-phenoxypropanoylamino)thiophene-2,4-dicarboxylate?
The molecular weight of Diethyl 3-methyl-5-(3-phenoxypropanoylamino)thiophene-2,4-dicarboxylate is 405.12 g/mol.
Where can I buy Diethyl 3-methyl-5-(3-phenoxypropanoylamino)thiophene-2,4-dicarboxylate?
You can request a quote for Diethyl 3-methyl-5-(3-phenoxypropanoylamino)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 Diethyl 3-methyl-5-(3-phenoxypropanoylamino)thiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 3-methyl-5-(3-phenoxypropanoylamino)thiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.