Diethyl 5-(3-(azepan-1-yl)propanamido)-3-methylthiophene-2,4-dicarboxylate
TL;DR: Diethyl 5-(3-(azepan-1-yl)propanamido)-3-methylthiophene-2,4-dicarboxylate (CAS 307341-35-1) is a chemical compound with molecular formula C20H30N2O5S and molecular weight 410.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[3-(azepan-1-yl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: diethyl 5-(3-(azepan-1-yl)propanamido)-3-methylthiophene-2,4-dicarboxylate, 2,4-DIETHYL 5-[3-(AZEPAN-1-YL)PROPANAMIDO]-3-METHYLTHIOPHENE-2,4-DICARBOXYLATE, diethyl 5-[3-(azepan-1-yl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate, diethyl 5-[3-(1-azepanyl)propionylamino]-3-methyl-2,4-thiophenedicarboxylate, Diethyl 5-[3-(azepan-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate
| Molecular Formula | C20H30N2O5S |
|---|---|
| Molecular Weight | 410.19 g/mol |
| LogP | 3.61452 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 410.18753 |
| Heavy Atoms | 28 |
| Complexity | 693.0133 |
Chemical Identifiers
| CAS Number | 307341-35-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCN2CCCCCC2 |
Product Overview
Diethyl 5-(3-(azepan-1-yl)propanamido)-3-methylthiophene-2,4-dicarboxylate (CAS 307341-35-1), with molecular formula C20H30N2O5S and molecular weight 410.19 g/mol. IUPAC: diethyl 5-[3-(azepan-1-yl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of Diethyl 5-(3-(azepan-1-yl)propanamido)-3-methylthiophene-2,4-dicarboxylate
Property Insights of Diethyl 5-(3-(azepan-1-yl)propanamido)-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 3.61452 indicates that Diethyl 5-(3-(azepan-1-yl)propanamido)-3-methylthiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 5-(3-(azepan-1-yl)propanamido)-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 5-(3-(azepan-1-yl)propanamido)-3-methylthiophene-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 5-(3-(azepan-1-yl)propanamido)-3-methylthiophene-2,4-dicarboxylate?
The CAS number of Diethyl 5-(3-(azepan-1-yl)propanamido)-3-methylthiophene-2,4-dicarboxylate is 307341-35-1.
What is the molecular formula of Diethyl 5-(3-(azepan-1-yl)propanamido)-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of Diethyl 5-(3-(azepan-1-yl)propanamido)-3-methylthiophene-2,4-dicarboxylate is C20H30N2O5S.
What is the molecular weight of Diethyl 5-(3-(azepan-1-yl)propanamido)-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of Diethyl 5-(3-(azepan-1-yl)propanamido)-3-methylthiophene-2,4-dicarboxylate is 410.19 g/mol.
Where can I buy Diethyl 5-(3-(azepan-1-yl)propanamido)-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for Diethyl 5-(3-(azepan-1-yl)propanamido)-3-methylthiophene-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 5-(3-(azepan-1-yl)propanamido)-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 5-(3-(azepan-1-yl)propanamido)-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.