![3-[2,5-dimethyl-1-(4H-1,2,4-triazol-4-yl)-1H-pyrrol-3-yl]prop-2-enoic acid structure](/static/products/4780/478077-83-7.webp)
3-[2,5-dimethyl-1-(4H-1,2,4-triazol-4-yl)-1H-pyrrol-3-yl]prop-2-enoic acid
TL;DR: 3-[2,5-dimethyl-1-(4H-1,2,4-triazol-4-yl)-1H-pyrrol-3-yl]prop-2-enoic acid (CAS 478077-83-7) is a chemical compound with molecular formula C11H12N4O2 and molecular weight 232.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]prop-2-enoic acid
Also Known As: Bionet2_000526, 3-[2,5-dimethyl-1-(4H-1,2,4-triazol-4-yl)-1H-pyrrol-3-yl]prop-2-enoic acid, (E)-3-[2,5-dimethyl-1-(4H-1,2,4-triazol-4-yl)-1H-pyrrol-3-yl]-2-propenoic acid, 3-[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]prop-2-enoic acid
| Molecular Formula | C11H12N4O2 |
|---|---|
| Molecular Weight | 232.10 g/mol |
| LogP | 1.10564 |
| Topological Polar Surface Area | 72.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.09602 |
| Heavy Atoms | 17 |
| Complexity | 566.5608 |
Chemical Identifiers
| CAS Number | 478077-83-7 |
|---|---|
| SMILES | CC1=CC(=C(N1N2C=NN=C2)C)C=CC(=O)O |
Product Overview
3-[2,5-dimethyl-1-(4H-1,2,4-triazol-4-yl)-1H-pyrrol-3-yl]prop-2-enoic acid (CAS 478077-83-7), with molecular formula C11H12N4O2 and molecular weight 232.10 g/mol. IUPAC: 3-[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]prop-2-enoic acid.
Chemical Property Profile of 3-[2,5-dimethyl-1-(4H-1,2,4-triazol-4-yl)-1H-pyrrol-3-yl]prop-2-enoic acid
Property Insights of 3-[2,5-dimethyl-1-(4H-1,2,4-triazol-4-yl)-1H-pyrrol-3-yl]prop-2-enoic acid
The XLogP value of 1.10564 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2,5-dimethyl-1-(4H-1,2,4-triazol-4-yl)-1H-pyrrol-3-yl]prop-2-enoic acid. The TPSA of 72.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2,5-dimethyl-1-(4H-1,2,4-triazol-4-yl)-1H-pyrrol-3-yl]prop-2-enoic acid. Following Lipinski's Rule of Five, 3-[2,5-dimethyl-1-(4H-1,2,4-triazol-4-yl)-1H-pyrrol-3-yl]prop-2-enoic acid 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 3-[2,5-dimethyl-1-(4H-1,2,4-triazol-4-yl)-1H-pyrrol-3-yl]prop-2-enoic acid?
The CAS number of 3-[2,5-dimethyl-1-(4H-1,2,4-triazol-4-yl)-1H-pyrrol-3-yl]prop-2-enoic acid is 478077-83-7.
What is the molecular formula of 3-[2,5-dimethyl-1-(4H-1,2,4-triazol-4-yl)-1H-pyrrol-3-yl]prop-2-enoic acid?
The molecular formula of 3-[2,5-dimethyl-1-(4H-1,2,4-triazol-4-yl)-1H-pyrrol-3-yl]prop-2-enoic acid is C11H12N4O2.
What is the molecular weight of 3-[2,5-dimethyl-1-(4H-1,2,4-triazol-4-yl)-1H-pyrrol-3-yl]prop-2-enoic acid?
The molecular weight of 3-[2,5-dimethyl-1-(4H-1,2,4-triazol-4-yl)-1H-pyrrol-3-yl]prop-2-enoic acid is 232.10 g/mol.
Where can I buy 3-[2,5-dimethyl-1-(4H-1,2,4-triazol-4-yl)-1H-pyrrol-3-yl]prop-2-enoic acid?
You can request a quote for 3-[2,5-dimethyl-1-(4H-1,2,4-triazol-4-yl)-1H-pyrrol-3-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-[2,5-dimethyl-1-(4H-1,2,4-triazol-4-yl)-1H-pyrrol-3-yl]prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[2,5-dimethyl-1-(4H-1,2,4-triazol-4-yl)-1H-pyrrol-3-yl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.