![methyl 4-[(1H-imidazol-1-ylacetyl)amino]benzoate structure](/static/products/339/339314-62-4.png)
methyl 4-[(1H-imidazol-1-ylacetyl)amino]benzoate
TL;DR: methyl 4-[(1H-imidazol-1-ylacetyl)amino]benzoate (CAS 339314-62-4) is a chemical compound with molecular formula C13H13N3O3 and molecular weight 259.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(2-imidazol-1-ylacetyl)amino]benzoate
Also Known As: methyl 4-(2-imidazolylacetylamino)benzoate, methyl 4-[(1H-imidazol-1-ylacetyl)amino]benzoate, methyl 4-[(2-imidazol-1-ylacetyl)amino]benzoate
| Molecular Formula | C13H13N3O3 |
|---|---|
| Molecular Weight | 259.10 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 259.0957 |
| Heavy Atoms | 19 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 339314-62-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CN2C=CN=C2 |
| InChIKey | WOOQUILNBDYSLM-UHFFFAOYSA-N |
Product Overview
methyl 4-[(1H-imidazol-1-ylacetyl)amino]benzoate (CAS 339314-62-4), with molecular formula C13H13N3O3 and molecular weight 259.10 g/mol. IUPAC: methyl 4-[(2-imidazol-1-ylacetyl)amino]benzoate.
Chemical Property Profile of methyl 4-[(1H-imidazol-1-ylacetyl)amino]benzoate
Property Insights of methyl 4-[(1H-imidazol-1-ylacetyl)amino]benzoate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[(1H-imidazol-1-ylacetyl)amino]benzoate. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[(1H-imidazol-1-ylacetyl)amino]benzoate. Following Lipinski's Rule of Five, methyl 4-[(1H-imidazol-1-ylacetyl)amino]benzoate has 1 hydrogen bond donor(s) and 4 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-[(1H-imidazol-1-ylacetyl)amino]benzoate?
The CAS number of methyl 4-[(1H-imidazol-1-ylacetyl)amino]benzoate is 339314-62-4.
What is the molecular formula of methyl 4-[(1H-imidazol-1-ylacetyl)amino]benzoate?
The molecular formula of methyl 4-[(1H-imidazol-1-ylacetyl)amino]benzoate is C13H13N3O3.
What is the molecular weight of methyl 4-[(1H-imidazol-1-ylacetyl)amino]benzoate?
The molecular weight of methyl 4-[(1H-imidazol-1-ylacetyl)amino]benzoate is 259.10 g/mol.
Where can I buy methyl 4-[(1H-imidazol-1-ylacetyl)amino]benzoate?
You can request a quote for methyl 4-[(1H-imidazol-1-ylacetyl)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-[(1H-imidazol-1-ylacetyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[(1H-imidazol-1-ylacetyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.