Dimethyl 5-(4-butoxybenzamido)-3-methylthiophene-2,4-dicarboxylate
TL;DR: Dimethyl 5-(4-butoxybenzamido)-3-methylthiophene-2,4-dicarboxylate (CAS 840477-92-1) 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.
dimethyl 5-[(4-butoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: dimethyl 5-(4-butoxybenzamido)-3-methylthiophene-2,4-dicarboxylate, dimethyl 5-[(4-butoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate, dimethyl 5-{[(4-butoxyphenyl)carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C20H23NO6S |
|---|---|
| Molecular Weight | 405.12 g/mol |
| LogP | 4.06092 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 405.1246 |
| Heavy Atoms | 28 |
| Complexity | 856.32605 |
Chemical Identifiers
| CAS Number | 840477-92-1 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC |
Product Overview
Dimethyl 5-(4-butoxybenzamido)-3-methylthiophene-2,4-dicarboxylate (CAS 840477-92-1), with molecular formula C20H23NO6S and molecular weight 405.12 g/mol. IUPAC: dimethyl 5-[(4-butoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of Dimethyl 5-(4-butoxybenzamido)-3-methylthiophene-2,4-dicarboxylate
Property Insights of Dimethyl 5-(4-butoxybenzamido)-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 4.06092 indicates that Dimethyl 5-(4-butoxybenzamido)-3-methylthiophene-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 Dimethyl 5-(4-butoxybenzamido)-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 5-(4-butoxybenzamido)-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 Dimethyl 5-(4-butoxybenzamido)-3-methylthiophene-2,4-dicarboxylate?
The CAS number of Dimethyl 5-(4-butoxybenzamido)-3-methylthiophene-2,4-dicarboxylate is 840477-92-1.
What is the molecular formula of Dimethyl 5-(4-butoxybenzamido)-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of Dimethyl 5-(4-butoxybenzamido)-3-methylthiophene-2,4-dicarboxylate is C20H23NO6S.
What is the molecular weight of Dimethyl 5-(4-butoxybenzamido)-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of Dimethyl 5-(4-butoxybenzamido)-3-methylthiophene-2,4-dicarboxylate is 405.12 g/mol.
Where can I buy Dimethyl 5-(4-butoxybenzamido)-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for Dimethyl 5-(4-butoxybenzamido)-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 Dimethyl 5-(4-butoxybenzamido)-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-(4-butoxybenzamido)-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.