![dimethyl 5-[4-(4-chloro-2-methylphenoxy)butanoylamino]-3-methylthiophene-2,4-dicarboxylate structure](/static/products/4200/420092-18-8.webp)
dimethyl 5-[4-(4-chloro-2-methylphenoxy)butanoylamino]-3-methylthiophene-2,4-dicarboxylate
TL;DR: dimethyl 5-[4-(4-chloro-2-methylphenoxy)butanoylamino]-3-methylthiophene-2,4-dicarboxylate (CAS 420092-18-8) is a chemical compound with molecular formula C20H22ClNO6S and molecular weight 439.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[4-(4-chloro-2-methylphenoxy)butanoylamino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: dimethyl 5-[4-(4-chloro-2-methylphenoxy)butanoylamino]-3-methylthiophene-2,4-dicarboxylate, dimethyl 5-{[4-(4-chloro-2-methylphenoxy)butanoyl]amino}-3-methyl-2,4-thiophenedicarboxylate, dimethyl 5-(4-(4-chloro-2-methylphenoxy)butanamido)-3-methylthiophene-2,4-dicarboxylate, dimethyl 5-{[4-(4-chloro-2-methylphenoxy)butanoyl]amino}-3-methylthiophene-2,4-dicarboxylate, methyl 2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-5-(methoxycarbonyl)-4-met hylthiophene-3-carboxylate
| Molecular Formula | C20H22ClNO6S |
|---|---|
| Molecular Weight | 439.09 g/mol |
| LogP | 4.38924 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 439.08563 |
| Heavy Atoms | 29 |
| Complexity | 923.9355 |
Chemical Identifiers
| CAS Number | 420092-18-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OCCCC(=O)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC |
Product Overview
dimethyl 5-[4-(4-chloro-2-methylphenoxy)butanoylamino]-3-methylthiophene-2,4-dicarboxylate (CAS 420092-18-8), with molecular formula C20H22ClNO6S and molecular weight 439.09 g/mol. IUPAC: dimethyl 5-[4-(4-chloro-2-methylphenoxy)butanoylamino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of dimethyl 5-[4-(4-chloro-2-methylphenoxy)butanoylamino]-3-methylthiophene-2,4-dicarboxylate
Property Insights of dimethyl 5-[4-(4-chloro-2-methylphenoxy)butanoylamino]-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 4.38924 indicates that dimethyl 5-[4-(4-chloro-2-methylphenoxy)butanoylamino]-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-(4-chloro-2-methylphenoxy)butanoylamino]-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 5-[4-(4-chloro-2-methylphenoxy)butanoylamino]-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-(4-chloro-2-methylphenoxy)butanoylamino]-3-methylthiophene-2,4-dicarboxylate?
The CAS number of dimethyl 5-[4-(4-chloro-2-methylphenoxy)butanoylamino]-3-methylthiophene-2,4-dicarboxylate is 420092-18-8.
What is the molecular formula of dimethyl 5-[4-(4-chloro-2-methylphenoxy)butanoylamino]-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of dimethyl 5-[4-(4-chloro-2-methylphenoxy)butanoylamino]-3-methylthiophene-2,4-dicarboxylate is C20H22ClNO6S.
What is the molecular weight of dimethyl 5-[4-(4-chloro-2-methylphenoxy)butanoylamino]-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of dimethyl 5-[4-(4-chloro-2-methylphenoxy)butanoylamino]-3-methylthiophene-2,4-dicarboxylate is 439.09 g/mol.
Where can I buy dimethyl 5-[4-(4-chloro-2-methylphenoxy)butanoylamino]-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for dimethyl 5-[4-(4-chloro-2-methylphenoxy)butanoylamino]-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-(4-chloro-2-methylphenoxy)butanoylamino]-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 5-[4-(4-chloro-2-methylphenoxy)butanoylamino]-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.