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Methyl 3-[4-(2,4-dichlorophenoxy)butanoylamino]thiophene-2-carboxylate
TL;DR: Methyl 3-[4-(2,4-dichlorophenoxy)butanoylamino]thiophene-2-carboxylate (CAS 420089-72-1) is a chemical compound with molecular formula C16H15Cl2NO4S and molecular weight 387.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[4-(2,4-dichlorophenoxy)butanoylamino]thiophene-2-carboxylate
Also Known As: methyl 3-[4-(2,4-dichlorophenoxy)butanoylamino]thiophene-2-carboxylate, methyl 3-(4-(2,4-dichlorophenoxy)butanamido)thiophene-2-carboxylate, methyl 3-[4-(2,4-dichlorophenoxy)butanamido]thiophene-2-carboxylate, methyl 3-{[4-(2,4-dichlorophenoxy)butanoyl]amino}thiophene-2-carboxylate
| Molecular Formula | C16H15Cl2NO4S |
|---|---|
| Molecular Weight | 387.01 g/mol |
| LogP | 4.6392 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 387.0099 |
| Heavy Atoms | 24 |
| Complexity | 732.61755 |
Chemical Identifiers
| CAS Number | 420089-72-1 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl |
Product Overview
Methyl 3-[4-(2,4-dichlorophenoxy)butanoylamino]thiophene-2-carboxylate (CAS 420089-72-1), with molecular formula C16H15Cl2NO4S and molecular weight 387.01 g/mol. IUPAC: methyl 3-[4-(2,4-dichlorophenoxy)butanoylamino]thiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-[4-(2,4-dichlorophenoxy)butanoylamino]thiophene-2-carboxylate
Property Insights of Methyl 3-[4-(2,4-dichlorophenoxy)butanoylamino]thiophene-2-carboxylate
The XLogP value of 4.6392 indicates that Methyl 3-[4-(2,4-dichlorophenoxy)butanoylamino]thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-[4-(2,4-dichlorophenoxy)butanoylamino]thiophene-2-carboxylate. Following Lipinski's Rule of Five, Methyl 3-[4-(2,4-dichlorophenoxy)butanoylamino]thiophene-2-carboxylate has 1 hydrogen bond donor(s) and 5 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 3-[4-(2,4-dichlorophenoxy)butanoylamino]thiophene-2-carboxylate?
The CAS number of Methyl 3-[4-(2,4-dichlorophenoxy)butanoylamino]thiophene-2-carboxylate is 420089-72-1.
What is the molecular formula of Methyl 3-[4-(2,4-dichlorophenoxy)butanoylamino]thiophene-2-carboxylate?
The molecular formula of Methyl 3-[4-(2,4-dichlorophenoxy)butanoylamino]thiophene-2-carboxylate is C16H15Cl2NO4S.
What is the molecular weight of Methyl 3-[4-(2,4-dichlorophenoxy)butanoylamino]thiophene-2-carboxylate?
The molecular weight of Methyl 3-[4-(2,4-dichlorophenoxy)butanoylamino]thiophene-2-carboxylate is 387.01 g/mol.
Where can I buy Methyl 3-[4-(2,4-dichlorophenoxy)butanoylamino]thiophene-2-carboxylate?
You can request a quote for Methyl 3-[4-(2,4-dichlorophenoxy)butanoylamino]thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[4-(2,4-dichlorophenoxy)butanoylamino]thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[4-(2,4-dichlorophenoxy)butanoylamino]thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.