![2-[4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)phenoxy]propanoic acid structure](/static/products/812/812642-70-9.png)
2-[4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)phenoxy]propanoic acid
TL;DR: 2-[4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)phenoxy]propanoic acid (CAS 812642-70-9) is a chemical compound with molecular formula C16H17NO4 and molecular weight 287.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3-formyl-2,5-dimethylpyrrol-1-yl)phenoxy]propanoic acid
Also Known As: 2-[4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)phenoxy]propanoic acid, CHEMBRDG-BB 6725381, 2-(4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)phenoxy)propanoic acid, 2-[4-(3-formyl-2,5-dimethylpyrrol-1-yl)phenoxy]propanoic acid, Y-0906
| Molecular Formula | C16H17NO4 |
|---|---|
| Molecular Weight | 287.12 g/mol |
| LogP | 2.75854 |
| Topological Polar Surface Area | 68.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.11575 |
| Heavy Atoms | 21 |
| Complexity | 670.33057 |
Chemical Identifiers
| CAS Number | 812642-70-9 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)OC(C)C(=O)O)C)C=O |
Product Overview
2-[4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)phenoxy]propanoic acid (CAS 812642-70-9), with molecular formula C16H17NO4 and molecular weight 287.12 g/mol. IUPAC: 2-[4-(3-formyl-2,5-dimethylpyrrol-1-yl)phenoxy]propanoic acid.
Chemical Property Profile of 2-[4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)phenoxy]propanoic acid
Property Insights of 2-[4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)phenoxy]propanoic acid
The XLogP value of 2.75854 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)phenoxy]propanoic acid. The TPSA of 68.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)phenoxy]propanoic acid. Following Lipinski's Rule of Five, 2-[4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)phenoxy]propanoic 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 2-[4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)phenoxy]propanoic acid?
The CAS number of 2-[4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)phenoxy]propanoic acid is 812642-70-9.
What is the molecular formula of 2-[4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)phenoxy]propanoic acid?
The molecular formula of 2-[4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)phenoxy]propanoic acid is C16H17NO4.
What is the molecular weight of 2-[4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)phenoxy]propanoic acid?
The molecular weight of 2-[4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)phenoxy]propanoic acid is 287.12 g/mol.
Where can I buy 2-[4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)phenoxy]propanoic acid?
You can request a quote for 2-[4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)phenoxy]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)phenoxy]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)phenoxy]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.