![Dimethyl 5-{[(4-sec-butylphenoxy)acetyl]amino}isophthalate structure](/static/products/7082/708223-72-7.webp)
Dimethyl 5-{[(4-sec-butylphenoxy)acetyl]amino}isophthalate
TL;DR: Dimethyl 5-{[(4-sec-butylphenoxy)acetyl]amino}isophthalate (CAS 708223-72-7) is a chemical compound with molecular formula C22H25NO6 and molecular weight 399.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[2-(4-butan-2-ylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-{[(4-sec-butylphenoxy)acetyl]amino}isophthalate, AN-465/42251581, dimethyl 5-(2-(4-(sec-butyl)phenoxy)acetamido)isophthalate, dimethyl 5-[[2-(4-butan-2-ylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate, dimethyl 5-({[4-(butan-2-yl)phenoxy]acetyl}amino)benzene-1,3-dicarboxylate
| Molecular Formula | C22H25NO6 |
|---|---|
| Molecular Weight | 399.17 g/mol |
| LogP | 3.7908 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 399.16818 |
| Heavy Atoms | 29 |
| Complexity | 841.1213 |
Chemical Identifiers
| CAS Number | 708223-72-7 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)OCC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC |
Product Overview
Dimethyl 5-{[(4-sec-butylphenoxy)acetyl]amino}isophthalate (CAS 708223-72-7), with molecular formula C22H25NO6 and molecular weight 399.17 g/mol. IUPAC: dimethyl 5-[[2-(4-butan-2-ylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-{[(4-sec-butylphenoxy)acetyl]amino}isophthalate
Property Insights of Dimethyl 5-{[(4-sec-butylphenoxy)acetyl]amino}isophthalate
The XLogP value of 3.7908 indicates that Dimethyl 5-{[(4-sec-butylphenoxy)acetyl]amino}isophthalate 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-sec-butylphenoxy)acetyl]amino}isophthalate. Following Lipinski's Rule of Five, Dimethyl 5-{[(4-sec-butylphenoxy)acetyl]amino}isophthalate 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-sec-butylphenoxy)acetyl]amino}isophthalate?
The CAS number of Dimethyl 5-{[(4-sec-butylphenoxy)acetyl]amino}isophthalate is 708223-72-7.
What is the molecular formula of Dimethyl 5-{[(4-sec-butylphenoxy)acetyl]amino}isophthalate?
The molecular formula of Dimethyl 5-{[(4-sec-butylphenoxy)acetyl]amino}isophthalate is C22H25NO6.
What is the molecular weight of Dimethyl 5-{[(4-sec-butylphenoxy)acetyl]amino}isophthalate?
The molecular weight of Dimethyl 5-{[(4-sec-butylphenoxy)acetyl]amino}isophthalate is 399.17 g/mol.
Where can I buy Dimethyl 5-{[(4-sec-butylphenoxy)acetyl]amino}isophthalate?
You can request a quote for Dimethyl 5-{[(4-sec-butylphenoxy)acetyl]amino}isophthalate 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-sec-butylphenoxy)acetyl]amino}isophthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-{[(4-sec-butylphenoxy)acetyl]amino}isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.