![Dimethyl 2-{[2-(4-chloro-3-methylphenoxy)propanoyl]amino}terephthalate structure](/static/products/4450/445007-86-3.webp)
Dimethyl 2-{[2-(4-chloro-3-methylphenoxy)propanoyl]amino}terephthalate
TL;DR: Dimethyl 2-{[2-(4-chloro-3-methylphenoxy)propanoyl]amino}terephthalate (CAS 445007-86-3) is a chemical compound with molecular formula C20H20ClNO6 and molecular weight 405.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[2-(4-chloro-3-methylphenoxy)propanoylamino]benzene-1,4-dicarboxylate
Also Known As: dimethyl 2-{[2-(4-chloro-3-methylphenoxy)propanoyl]amino}terephthalate, dimethyl 2-[2-(4-chloro-3-methylphenoxy)propanoylamino]benzene-1,4-dicarboxylate, dimethyl 2-{[2-(4-chloro-3-methylphenoxy)propanoyl]amino}benzene-1,4-dicarboxylate, methyl 3-[2-(4-chloro-3-methylphenoxy)propanoylamino]-4-(methoxycarbonyl)benzo ate
| Molecular Formula | C20H20ClNO6 |
|---|---|
| Molecular Weight | 405.10 g/mol |
| LogP | 3.62762 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.0979 |
| Heavy Atoms | 28 |
| Complexity | 911.5641 |
Chemical Identifiers
| CAS Number | 445007-86-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OC(C)C(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)Cl |
Product Overview
Dimethyl 2-{[2-(4-chloro-3-methylphenoxy)propanoyl]amino}terephthalate (CAS 445007-86-3), with molecular formula C20H20ClNO6 and molecular weight 405.10 g/mol. IUPAC: dimethyl 2-[2-(4-chloro-3-methylphenoxy)propanoylamino]benzene-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl 2-{[2-(4-chloro-3-methylphenoxy)propanoyl]amino}terephthalate
Property Insights of Dimethyl 2-{[2-(4-chloro-3-methylphenoxy)propanoyl]amino}terephthalate
The XLogP value of 3.62762 indicates that Dimethyl 2-{[2-(4-chloro-3-methylphenoxy)propanoyl]amino}terephthalate 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 2-{[2-(4-chloro-3-methylphenoxy)propanoyl]amino}terephthalate. Following Lipinski's Rule of Five, Dimethyl 2-{[2-(4-chloro-3-methylphenoxy)propanoyl]amino}terephthalate 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 2-{[2-(4-chloro-3-methylphenoxy)propanoyl]amino}terephthalate?
The CAS number of Dimethyl 2-{[2-(4-chloro-3-methylphenoxy)propanoyl]amino}terephthalate is 445007-86-3.
What is the molecular formula of Dimethyl 2-{[2-(4-chloro-3-methylphenoxy)propanoyl]amino}terephthalate?
The molecular formula of Dimethyl 2-{[2-(4-chloro-3-methylphenoxy)propanoyl]amino}terephthalate is C20H20ClNO6.
What is the molecular weight of Dimethyl 2-{[2-(4-chloro-3-methylphenoxy)propanoyl]amino}terephthalate?
The molecular weight of Dimethyl 2-{[2-(4-chloro-3-methylphenoxy)propanoyl]amino}terephthalate is 405.10 g/mol.
Where can I buy Dimethyl 2-{[2-(4-chloro-3-methylphenoxy)propanoyl]amino}terephthalate?
You can request a quote for Dimethyl 2-{[2-(4-chloro-3-methylphenoxy)propanoyl]amino}terephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-{[2-(4-chloro-3-methylphenoxy)propanoyl]amino}terephthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-{[2-(4-chloro-3-methylphenoxy)propanoyl]amino}terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.