Methyl 3-(methoxycarbonyl)-5-(4-phenoxybutanoylamino)benzoate
TL;DR: Methyl 3-(methoxycarbonyl)-5-(4-phenoxybutanoylamino)benzoate (CAS 432508-32-2) is a chemical compound with molecular formula C20H21NO6 and molecular weight 371.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-(4-phenoxybutanoylamino)benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-(4-phenoxybutanamido)isophthalate, DIMETHYL 5-[(4-PHENOXYBUTANOYL)AMINO]ISOPHTHALATE, dimethyl 5-(4-phenoxybutanoylamino)benzene-1,3-dicarboxylate, dimethyl 5-[(4-phenoxybutanoyl)amino]benzene-1,3-dicarboxylate, methyl 3-(methoxycarbonyl)-5-(4-phenoxybutanoylamino)benzoate
| Molecular Formula | C20H21NO6 |
|---|---|
| Molecular Weight | 371.14 g/mol |
| LogP | 3.0575 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 371.1369 |
| Heavy Atoms | 27 |
| Complexity | 769.12415 |
Chemical Identifiers
| CAS Number | 432508-32-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=O)CCCOC2=CC=CC=C2)C(=O)OC |
Product Overview
Methyl 3-(methoxycarbonyl)-5-(4-phenoxybutanoylamino)benzoate (CAS 432508-32-2), with molecular formula C20H21NO6 and molecular weight 371.14 g/mol. IUPAC: dimethyl 5-(4-phenoxybutanoylamino)benzene-1,3-dicarboxylate.
Chemical Property Profile of Methyl 3-(methoxycarbonyl)-5-(4-phenoxybutanoylamino)benzoate
Property Insights of Methyl 3-(methoxycarbonyl)-5-(4-phenoxybutanoylamino)benzoate
The XLogP value of 3.0575 indicates that Methyl 3-(methoxycarbonyl)-5-(4-phenoxybutanoylamino)benzoate 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 Methyl 3-(methoxycarbonyl)-5-(4-phenoxybutanoylamino)benzoate. Following Lipinski's Rule of Five, Methyl 3-(methoxycarbonyl)-5-(4-phenoxybutanoylamino)benzoate 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 Methyl 3-(methoxycarbonyl)-5-(4-phenoxybutanoylamino)benzoate?
The CAS number of Methyl 3-(methoxycarbonyl)-5-(4-phenoxybutanoylamino)benzoate is 432508-32-2.
What is the molecular formula of Methyl 3-(methoxycarbonyl)-5-(4-phenoxybutanoylamino)benzoate?
The molecular formula of Methyl 3-(methoxycarbonyl)-5-(4-phenoxybutanoylamino)benzoate is C20H21NO6.
What is the molecular weight of Methyl 3-(methoxycarbonyl)-5-(4-phenoxybutanoylamino)benzoate?
The molecular weight of Methyl 3-(methoxycarbonyl)-5-(4-phenoxybutanoylamino)benzoate is 371.14 g/mol.
Where can I buy Methyl 3-(methoxycarbonyl)-5-(4-phenoxybutanoylamino)benzoate?
You can request a quote for Methyl 3-(methoxycarbonyl)-5-(4-phenoxybutanoylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(methoxycarbonyl)-5-(4-phenoxybutanoylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(methoxycarbonyl)-5-(4-phenoxybutanoylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.