Methyl 3-(3-ethoxypropanoylamino)-4-(methoxycarbonyl)benzoate
TL;DR: Methyl 3-(3-ethoxypropanoylamino)-4-(methoxycarbonyl)benzoate (CAS 831185-08-1) is a chemical compound with molecular formula C15H19NO6 and molecular weight 309.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(3-ethoxypropanoylamino)benzene-1,4-dicarboxylate
Also Known As: dimethyl 2-(3-ethoxypropanamido)terephthalate, dimethyl 2-(3-ethoxypropanoylamino)benzene-1,4-dicarboxylate, dimethyl 2-[(3-ethoxypropanoyl)amino]benzene-1,4-dicarboxylate, methyl 3-(3-ethoxypropanoylamino)-4-(methoxycarbonyl)benzoate, 1,4-DIMETHYL 2-(3-ETHOXYPROPANAMIDO)BENZENE-1,4-DICARBOXYLATE
| Molecular Formula | C15H19NO6 |
|---|---|
| Molecular Weight | 309.12 g/mol |
| LogP | 1.6249 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 309.12125 |
| Heavy Atoms | 22 |
| Complexity | 554.9637 |
Chemical Identifiers
| CAS Number | 831185-08-1 |
|---|---|
| SMILES | CCOCCC(=O)NC1=C(C=CC(=C1)C(=O)OC)C(=O)OC |
Product Overview
Methyl 3-(3-ethoxypropanoylamino)-4-(methoxycarbonyl)benzoate (CAS 831185-08-1), with molecular formula C15H19NO6 and molecular weight 309.12 g/mol. IUPAC: dimethyl 2-(3-ethoxypropanoylamino)benzene-1,4-dicarboxylate.
Chemical Property Profile of Methyl 3-(3-ethoxypropanoylamino)-4-(methoxycarbonyl)benzoate
Property Insights of Methyl 3-(3-ethoxypropanoylamino)-4-(methoxycarbonyl)benzoate
The XLogP value of 1.6249 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(3-ethoxypropanoylamino)-4-(methoxycarbonyl)benzoate. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(3-ethoxypropanoylamino)-4-(methoxycarbonyl)benzoate. Following Lipinski's Rule of Five, Methyl 3-(3-ethoxypropanoylamino)-4-(methoxycarbonyl)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-(3-ethoxypropanoylamino)-4-(methoxycarbonyl)benzoate?
The CAS number of Methyl 3-(3-ethoxypropanoylamino)-4-(methoxycarbonyl)benzoate is 831185-08-1.
What is the molecular formula of Methyl 3-(3-ethoxypropanoylamino)-4-(methoxycarbonyl)benzoate?
The molecular formula of Methyl 3-(3-ethoxypropanoylamino)-4-(methoxycarbonyl)benzoate is C15H19NO6.
What is the molecular weight of Methyl 3-(3-ethoxypropanoylamino)-4-(methoxycarbonyl)benzoate?
The molecular weight of Methyl 3-(3-ethoxypropanoylamino)-4-(methoxycarbonyl)benzoate is 309.12 g/mol.
Where can I buy Methyl 3-(3-ethoxypropanoylamino)-4-(methoxycarbonyl)benzoate?
You can request a quote for Methyl 3-(3-ethoxypropanoylamino)-4-(methoxycarbonyl)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-(3-ethoxypropanoylamino)-4-(methoxycarbonyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(3-ethoxypropanoylamino)-4-(methoxycarbonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.