![Dimethyl 5-[4-(4-chloro-2-methylphenoxy)butanoylamino]benzene-1,3-dicarboxylate structure](/static/products/4200/420093-91-0.webp)
Dimethyl 5-[4-(4-chloro-2-methylphenoxy)butanoylamino]benzene-1,3-dicarboxylate
TL;DR: Dimethyl 5-[4-(4-chloro-2-methylphenoxy)butanoylamino]benzene-1,3-dicarboxylate (CAS 420093-91-0) is a chemical compound with molecular formula C21H22ClNO6 and molecular weight 419.11 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]benzene-1,3-dicarboxylate
Also Known As: BIM-0028810.P001, dimethyl 5-[4-(4-chloro-2-methylphenoxy)butanoylamino]benzene-1,3-dicarboxylate, dimethyl 5-{[4-(4-chloro-2-methylphenoxy)butanoyl]amino}benzene-1,3-dicarboxylate, DIMETHYL 5-{[4-(4-CHLORO-2-METHYLPHENOXY)BUTANOYL]AMINO}ISOPHTHALATE, methyl 5-[4-(4-chloro-2-methylphenoxy)butanoylamino]-3-(methoxycarbonyl)benzoa te
| Molecular Formula | C21H22ClNO6 |
|---|---|
| Molecular Weight | 419.11 g/mol |
| LogP | 4.01932 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 419.11356 |
| Heavy Atoms | 29 |
| Complexity | 877.7895 |
Chemical Identifiers
| CAS Number | 420093-91-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OCCCC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC |
Product Overview
Dimethyl 5-[4-(4-chloro-2-methylphenoxy)butanoylamino]benzene-1,3-dicarboxylate (CAS 420093-91-0), with molecular formula C21H22ClNO6 and molecular weight 419.11 g/mol. IUPAC: dimethyl 5-[4-(4-chloro-2-methylphenoxy)butanoylamino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-[4-(4-chloro-2-methylphenoxy)butanoylamino]benzene-1,3-dicarboxylate
Property Insights of Dimethyl 5-[4-(4-chloro-2-methylphenoxy)butanoylamino]benzene-1,3-dicarboxylate
The XLogP value of 4.01932 indicates that Dimethyl 5-[4-(4-chloro-2-methylphenoxy)butanoylamino]benzene-1,3-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]benzene-1,3-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 5-[4-(4-chloro-2-methylphenoxy)butanoylamino]benzene-1,3-dicarboxylate has 1 hydrogen bond donor(s) and 6 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]benzene-1,3-dicarboxylate?
The CAS number of Dimethyl 5-[4-(4-chloro-2-methylphenoxy)butanoylamino]benzene-1,3-dicarboxylate is 420093-91-0.
What is the molecular formula of Dimethyl 5-[4-(4-chloro-2-methylphenoxy)butanoylamino]benzene-1,3-dicarboxylate?
The molecular formula of Dimethyl 5-[4-(4-chloro-2-methylphenoxy)butanoylamino]benzene-1,3-dicarboxylate is C21H22ClNO6.
What is the molecular weight of Dimethyl 5-[4-(4-chloro-2-methylphenoxy)butanoylamino]benzene-1,3-dicarboxylate?
The molecular weight of Dimethyl 5-[4-(4-chloro-2-methylphenoxy)butanoylamino]benzene-1,3-dicarboxylate is 419.11 g/mol.
Where can I buy Dimethyl 5-[4-(4-chloro-2-methylphenoxy)butanoylamino]benzene-1,3-dicarboxylate?
You can request a quote for Dimethyl 5-[4-(4-chloro-2-methylphenoxy)butanoylamino]benzene-1,3-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]benzene-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-[4-(4-chloro-2-methylphenoxy)butanoylamino]benzene-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.