methyl 2-benzamido-3-(1H-imidazol-5-yl)propanoate
TL;DR: methyl 2-benzamido-3-(1H-imidazol-5-yl)propanoate (CAS 3005-62-7) is a chemical compound with molecular formula C14H15N3O3 and molecular weight 273.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-benzamido-3-(1H-imidazol-5-yl)propanoate
Also Known As: BZ-HIS-OME, Bz-L-His-OMe, Histidine, derivative of, methyl N-benzoylhistidinate, Na-Benzoyl-L-histidine methyl ester
| Molecular Formula | C14H15N3O3 |
|---|---|
| Molecular Weight | 273.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 84.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 273.11133 |
| Heavy Atoms | 20 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 3005-62-7 |
|---|---|
| SMILES | COC(=O)C(CC1=CN=CN1)NC(=O)C2=CC=CC=C2 |
| InChIKey | POUMRJPRROOAGQ-UHFFFAOYSA-N |
Product Overview
methyl 2-benzamido-3-(1H-imidazol-5-yl)propanoate (CAS 3005-62-7), with molecular formula C14H15N3O3 and molecular weight 273.11 g/mol. IUPAC: methyl 2-benzamido-3-(1H-imidazol-5-yl)propanoate.
Chemical Property Profile of methyl 2-benzamido-3-(1H-imidazol-5-yl)propanoate
Property Insights of methyl 2-benzamido-3-(1H-imidazol-5-yl)propanoate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-benzamido-3-(1H-imidazol-5-yl)propanoate. The TPSA of 84.1 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-benzamido-3-(1H-imidazol-5-yl)propanoate. Following Lipinski's Rule of Five, methyl 2-benzamido-3-(1H-imidazol-5-yl)propanoate has 2 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 2-benzamido-3-(1H-imidazol-5-yl)propanoate?
The CAS number of methyl 2-benzamido-3-(1H-imidazol-5-yl)propanoate is 3005-62-7.
What is the molecular formula of methyl 2-benzamido-3-(1H-imidazol-5-yl)propanoate?
The molecular formula of methyl 2-benzamido-3-(1H-imidazol-5-yl)propanoate is C14H15N3O3.
What is the molecular weight of methyl 2-benzamido-3-(1H-imidazol-5-yl)propanoate?
The molecular weight of methyl 2-benzamido-3-(1H-imidazol-5-yl)propanoate is 273.11 g/mol.
Where can I buy methyl 2-benzamido-3-(1H-imidazol-5-yl)propanoate?
You can request a quote for methyl 2-benzamido-3-(1H-imidazol-5-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-benzamido-3-(1H-imidazol-5-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-benzamido-3-(1H-imidazol-5-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.