![Methyl 4-[[2-(3-imidazol-1-ylpropylamino)-2-oxoacetyl]amino]benzoate structure](/static/products/922/922987-22-2.png)
Methyl 4-[[2-(3-imidazol-1-ylpropylamino)-2-oxoacetyl]amino]benzoate
TL;DR: Methyl 4-[[2-(3-imidazol-1-ylpropylamino)-2-oxoacetyl]amino]benzoate (CAS 922987-22-2) is a chemical compound with molecular formula C16H18N4O4 and molecular weight 330.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-(3-imidazol-1-ylpropylamino)-2-oxoacetyl]amino]benzoate
Also Known As: VU0499534-1, F2795-0675, methyl 4-({[3-(1H-imidazol-1-yl)propyl]carbamoyl}formamido)benzoate, methyl 4-[[2-(3-imidazol-1-ylpropylamino)-2-oxoacetyl]amino]benzoate, methyl 4-(2-((3-(1H-imidazol-1-yl)propyl)amino)-2-oxoacetamido)benzoate
| Molecular Formula | C16H18N4O4 |
|---|---|
| Molecular Weight | 330.13 g/mol |
| LogP | 0.8147 |
| Topological Polar Surface Area | 102.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 330.1328 |
| Heavy Atoms | 24 |
| Complexity | 695.3773 |
Chemical Identifiers
| CAS Number | 922987-22-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCCCN2C=CN=C2 |
Product Overview
Methyl 4-[[2-(3-imidazol-1-ylpropylamino)-2-oxoacetyl]amino]benzoate (CAS 922987-22-2), with molecular formula C16H18N4O4 and molecular weight 330.13 g/mol. IUPAC: methyl 4-[[2-(3-imidazol-1-ylpropylamino)-2-oxoacetyl]amino]benzoate.
Chemical Property Profile of Methyl 4-[[2-(3-imidazol-1-ylpropylamino)-2-oxoacetyl]amino]benzoate
Property Insights of Methyl 4-[[2-(3-imidazol-1-ylpropylamino)-2-oxoacetyl]amino]benzoate
The XLogP value of 0.8147 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[[2-(3-imidazol-1-ylpropylamino)-2-oxoacetyl]amino]benzoate. The TPSA of 102.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[[2-(3-imidazol-1-ylpropylamino)-2-oxoacetyl]amino]benzoate. Following Lipinski's Rule of Five, Methyl 4-[[2-(3-imidazol-1-ylpropylamino)-2-oxoacetyl]amino]benzoate has 2 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 4-[[2-(3-imidazol-1-ylpropylamino)-2-oxoacetyl]amino]benzoate?
The CAS number of Methyl 4-[[2-(3-imidazol-1-ylpropylamino)-2-oxoacetyl]amino]benzoate is 922987-22-2.
What is the molecular formula of Methyl 4-[[2-(3-imidazol-1-ylpropylamino)-2-oxoacetyl]amino]benzoate?
The molecular formula of Methyl 4-[[2-(3-imidazol-1-ylpropylamino)-2-oxoacetyl]amino]benzoate is C16H18N4O4.
What is the molecular weight of Methyl 4-[[2-(3-imidazol-1-ylpropylamino)-2-oxoacetyl]amino]benzoate?
The molecular weight of Methyl 4-[[2-(3-imidazol-1-ylpropylamino)-2-oxoacetyl]amino]benzoate is 330.13 g/mol.
Where can I buy Methyl 4-[[2-(3-imidazol-1-ylpropylamino)-2-oxoacetyl]amino]benzoate?
You can request a quote for Methyl 4-[[2-(3-imidazol-1-ylpropylamino)-2-oxoacetyl]amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[[2-(3-imidazol-1-ylpropylamino)-2-oxoacetyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[[2-(3-imidazol-1-ylpropylamino)-2-oxoacetyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.