![3-[1-[(2-Methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]prop-2-enoic acid structure](/static/products/816/81653-88-5.png)
3-[1-[(2-Methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]prop-2-enoic acid
TL;DR: 3-[1-[(2-Methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]prop-2-enoic acid (CAS 81653-88-5) is a chemical compound with molecular formula C11H14N2O4 and molecular weight 238.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]prop-2-enoic acid
Also Known As: 3-(1-(tert-Butoxycarbonyl)-1H-imidazol-4-yl)acrylic acid, 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]prop-2-enoic Acid
| Molecular Formula | C11H14N2O4 |
|---|---|
| Molecular Weight | 238.10 g/mol |
| LogP | 1.7641 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.09535 |
| Heavy Atoms | 17 |
| Complexity | 454.28165 |
Chemical Identifiers
| CAS Number | 81653-88-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1C=C(N=C1)C=CC(=O)O |
Product Overview
3-[1-[(2-Methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]prop-2-enoic acid (CAS 81653-88-5), with molecular formula C11H14N2O4 and molecular weight 238.10 g/mol. IUPAC: 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]prop-2-enoic acid.
Chemical Property Profile of 3-[1-[(2-Methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]prop-2-enoic acid
Property Insights of 3-[1-[(2-Methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]prop-2-enoic acid
The XLogP value of 1.7641 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[1-[(2-Methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]prop-2-enoic acid. The TPSA of 81.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[1-[(2-Methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]prop-2-enoic acid. Following Lipinski's Rule of Five, 3-[1-[(2-Methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]prop-2-enoic acid 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 3-[1-[(2-Methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]prop-2-enoic acid?
The CAS number of 3-[1-[(2-Methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]prop-2-enoic acid is 81653-88-5.
What is the molecular formula of 3-[1-[(2-Methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]prop-2-enoic acid?
The molecular formula of 3-[1-[(2-Methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]prop-2-enoic acid is C11H14N2O4.
What is the molecular weight of 3-[1-[(2-Methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]prop-2-enoic acid?
The molecular weight of 3-[1-[(2-Methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]prop-2-enoic acid is 238.10 g/mol.
Where can I buy 3-[1-[(2-Methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]prop-2-enoic acid?
You can request a quote for 3-[1-[(2-Methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[1-[(2-Methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[1-[(2-Methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.