ethyl 3-amino-4-(1H-imidazol-1-yl)benzoate
TL;DR: ethyl 3-amino-4-(1H-imidazol-1-yl)benzoate (CAS 875160-11-5) is a chemical compound with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-4-imidazol-1-ylbenzoate
Also Known As: ethyl 3-amino-4-(1H-imidazol-1-yl)benzoate, 3-Amino-4-imidazol-1-yl-benzoic acid ethyl ester, ethyl 3-amino-4-imidazol-1-ylbenzoate, Ethyl 3-Amino-4-(1-imidazolyl)benzoate, ethyl 3-amino-4-imidazol-1-yl-benzoate
| Molecular Formula | C12H13N3O2 |
|---|---|
| Molecular Weight | 231.10 g/mol |
| LogP | 1.6312 |
| Topological Polar Surface Area | 70.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.10077 |
| Heavy Atoms | 17 |
| Complexity | 520.55194 |
Chemical Identifiers
| CAS Number | 875160-11-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C=C1)N2C=CN=C2)N |
Product Overview
ethyl 3-amino-4-(1H-imidazol-1-yl)benzoate (CAS 875160-11-5), with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol. IUPAC: ethyl 3-amino-4-imidazol-1-ylbenzoate.
Chemical Property Profile of ethyl 3-amino-4-(1H-imidazol-1-yl)benzoate
Property Insights of ethyl 3-amino-4-(1H-imidazol-1-yl)benzoate
The XLogP value of 1.6312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-amino-4-(1H-imidazol-1-yl)benzoate. The TPSA of 70.14 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-amino-4-(1H-imidazol-1-yl)benzoate. Following Lipinski's Rule of Five, ethyl 3-amino-4-(1H-imidazol-1-yl)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 ethyl 3-amino-4-(1H-imidazol-1-yl)benzoate?
The CAS number of ethyl 3-amino-4-(1H-imidazol-1-yl)benzoate is 875160-11-5.
What is the molecular formula of ethyl 3-amino-4-(1H-imidazol-1-yl)benzoate?
The molecular formula of ethyl 3-amino-4-(1H-imidazol-1-yl)benzoate is C12H13N3O2.
What is the molecular weight of ethyl 3-amino-4-(1H-imidazol-1-yl)benzoate?
The molecular weight of ethyl 3-amino-4-(1H-imidazol-1-yl)benzoate is 231.10 g/mol.
Where can I buy ethyl 3-amino-4-(1H-imidazol-1-yl)benzoate?
You can request a quote for ethyl 3-amino-4-(1H-imidazol-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-amino-4-(1H-imidazol-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-amino-4-(1H-imidazol-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.