Methyl 3-(methoxycarbonyl)-5-(3-phenylprop-2-ynoylamino)benzoate
TL;DR: Methyl 3-(methoxycarbonyl)-5-(3-phenylprop-2-ynoylamino)benzoate (CAS 898140-32-4) is a chemical compound with molecular formula C19H15NO5 and molecular weight 337.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-(3-phenylprop-2-ynoylamino)benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-(3-phenylpropiolamido)isophthalate, DIMETHYL 5-[(3-PHENYL-2-PROPYNOYL)AMINO]ISOPHTHALATE, dimethyl 5-(3-phenylprop-2-ynoylamino)benzene-1,3-dicarboxylate, dimethyl 5-[(3-phenylprop-2-ynoyl)amino]benzene-1,3-dicarboxylate, methyl 3-(methoxycarbonyl)-5-(3-phenylprop-2-ynoylamino)benzoate
| Molecular Formula | C19H15NO5 |
|---|---|
| Molecular Weight | 337.10 g/mol |
| LogP | 2.25 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.09503 |
| Heavy Atoms | 25 |
| Complexity | 828.1235 |
Chemical Identifiers
| CAS Number | 898140-32-4 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=O)C#CC2=CC=CC=C2)C(=O)OC |
Product Overview
Methyl 3-(methoxycarbonyl)-5-(3-phenylprop-2-ynoylamino)benzoate (CAS 898140-32-4), with molecular formula C19H15NO5 and molecular weight 337.10 g/mol. IUPAC: dimethyl 5-(3-phenylprop-2-ynoylamino)benzene-1,3-dicarboxylate.
Chemical Property Profile of Methyl 3-(methoxycarbonyl)-5-(3-phenylprop-2-ynoylamino)benzoate
Property Insights of Methyl 3-(methoxycarbonyl)-5-(3-phenylprop-2-ynoylamino)benzoate
The XLogP value of 2.25 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(methoxycarbonyl)-5-(3-phenylprop-2-ynoylamino)benzoate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(methoxycarbonyl)-5-(3-phenylprop-2-ynoylamino)benzoate. Following Lipinski's Rule of Five, Methyl 3-(methoxycarbonyl)-5-(3-phenylprop-2-ynoylamino)benzoate has 1 hydrogen bond donor(s) and 5 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-(3-phenylprop-2-ynoylamino)benzoate?
The CAS number of Methyl 3-(methoxycarbonyl)-5-(3-phenylprop-2-ynoylamino)benzoate is 898140-32-4.
What is the molecular formula of Methyl 3-(methoxycarbonyl)-5-(3-phenylprop-2-ynoylamino)benzoate?
The molecular formula of Methyl 3-(methoxycarbonyl)-5-(3-phenylprop-2-ynoylamino)benzoate is C19H15NO5.
What is the molecular weight of Methyl 3-(methoxycarbonyl)-5-(3-phenylprop-2-ynoylamino)benzoate?
The molecular weight of Methyl 3-(methoxycarbonyl)-5-(3-phenylprop-2-ynoylamino)benzoate is 337.10 g/mol.
Where can I buy Methyl 3-(methoxycarbonyl)-5-(3-phenylprop-2-ynoylamino)benzoate?
You can request a quote for Methyl 3-(methoxycarbonyl)-5-(3-phenylprop-2-ynoylamino)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-(3-phenylprop-2-ynoylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(methoxycarbonyl)-5-(3-phenylprop-2-ynoylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.