![(2E)-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-1H-pyrrol-3-yl]prop-2-enoic acid structure](/static/products/851/851722-06-0.png)
(2E)-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-1H-pyrrol-3-yl]prop-2-enoic acid
TL;DR: (2E)-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-1H-pyrrol-3-yl]prop-2-enoic acid (CAS 851722-06-0) is a chemical compound with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]prop-2-enoic acid
Also Known As: (2E)-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-1H-pyrrol-3-yl]prop-2-enoic acid, 3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-1H-pyrrol-3-yl]prop-2-enoic acid, (2E)-3-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)-1H-pyrrol-3-yl]acrylic acid, (E)-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]prop-2-enoic acid, 3-(2,5-Dimethyl-1-(5-methylisoxazol-3-yl)-1h-pyrrol-3-yl)acrylic acid
| Molecular Formula | C13H14N2O3 |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 2.48836 |
| Topological Polar Surface Area | 68.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.10045 |
| Heavy Atoms | 18 |
| Complexity | 620.215 |
Chemical Identifiers
| CAS Number | 851722-06-0 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=NOC(=C2)C)C)/C=C/C(=O)O |
Product Overview
(2E)-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-1H-pyrrol-3-yl]prop-2-enoic acid (CAS 851722-06-0), with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol. IUPAC: (E)-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]prop-2-enoic acid.
Chemical Property Profile of (2E)-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-1H-pyrrol-3-yl]prop-2-enoic acid
Property Insights of (2E)-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-1H-pyrrol-3-yl]prop-2-enoic acid
The XLogP value of 2.48836 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-1H-pyrrol-3-yl]prop-2-enoic acid. The TPSA of 68.26 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-1H-pyrrol-3-yl]prop-2-enoic acid. Following Lipinski's Rule of Five, (2E)-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-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 (2E)-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-1H-pyrrol-3-yl]prop-2-enoic acid?
The CAS number of (2E)-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-1H-pyrrol-3-yl]prop-2-enoic acid is 851722-06-0.
What is the molecular formula of (2E)-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-1H-pyrrol-3-yl]prop-2-enoic acid?
The molecular formula of (2E)-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-1H-pyrrol-3-yl]prop-2-enoic acid is C13H14N2O3.
What is the molecular weight of (2E)-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-1H-pyrrol-3-yl]prop-2-enoic acid?
The molecular weight of (2E)-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-1H-pyrrol-3-yl]prop-2-enoic acid is 246.10 g/mol.
Where can I buy (2E)-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-1H-pyrrol-3-yl]prop-2-enoic acid?
You can request a quote for (2E)-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-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 (2E)-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-1H-pyrrol-3-yl]prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-1H-pyrrol-3-yl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.