tert-butyl (2E)-3-(1H-imidazol-5-yl)prop-2-enoate
TL;DR: tert-butyl (2E)-3-(1H-imidazol-5-yl)prop-2-enoate (CAS 916319-77-2) is a chemical compound with molecular formula C10H14N2O2 and molecular weight 194.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (E)-3-(1H-imidazol-5-yl)prop-2-enoate
Also Known As: Imidazole-5-propenoic acid, t-butyl(ester), tert-butyl (2E)-3-(1H-imidazol-5-yl)prop-2-enoate, tert-butyl (E)-3-(1H-imidazol-5-yl)prop-2-enoate, tert-Butyl (2E)-3-(1H-imidazol-5-yl)-2-propenoate #
| Molecular Formula | C10H14N2O2 |
|---|---|
| Molecular Weight | 194.11 g/mol |
| LogP | 1.7646 |
| Topological Polar Surface Area | 54.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.10553 |
| Heavy Atoms | 14 |
| Complexity | 320.39124 |
Chemical Identifiers
| CAS Number | 916319-77-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)/C=C/C1=CN=CN1 |
Product Overview
tert-butyl (2E)-3-(1H-imidazol-5-yl)prop-2-enoate (CAS 916319-77-2), with molecular formula C10H14N2O2 and molecular weight 194.11 g/mol. IUPAC: tert-butyl (E)-3-(1H-imidazol-5-yl)prop-2-enoate.
Chemical Property Profile of tert-butyl (2E)-3-(1H-imidazol-5-yl)prop-2-enoate
Property Insights of tert-butyl (2E)-3-(1H-imidazol-5-yl)prop-2-enoate
The XLogP value of 1.7646 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl (2E)-3-(1H-imidazol-5-yl)prop-2-enoate. With a topological polar surface area (TPSA) of 54.98 Ų, tert-butyl (2E)-3-(1H-imidazol-5-yl)prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-butyl (2E)-3-(1H-imidazol-5-yl)prop-2-enoate has 1 hydrogen bond donor(s) and 3 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 tert-butyl (2E)-3-(1H-imidazol-5-yl)prop-2-enoate?
The CAS number of tert-butyl (2E)-3-(1H-imidazol-5-yl)prop-2-enoate is 916319-77-2.
What is the molecular formula of tert-butyl (2E)-3-(1H-imidazol-5-yl)prop-2-enoate?
The molecular formula of tert-butyl (2E)-3-(1H-imidazol-5-yl)prop-2-enoate is C10H14N2O2.
What is the molecular weight of tert-butyl (2E)-3-(1H-imidazol-5-yl)prop-2-enoate?
The molecular weight of tert-butyl (2E)-3-(1H-imidazol-5-yl)prop-2-enoate is 194.11 g/mol.
Where can I buy tert-butyl (2E)-3-(1H-imidazol-5-yl)prop-2-enoate?
You can request a quote for tert-butyl (2E)-3-(1H-imidazol-5-yl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl (2E)-3-(1H-imidazol-5-yl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl (2E)-3-(1H-imidazol-5-yl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.