![2-[4-(2,5-Dimethylpyrrol-1-yl)phenoxy]acetic acid structure](/static/products/3137/313701-94-9.webp)
2-[4-(2,5-Dimethylpyrrol-1-yl)phenoxy]acetic acid
TL;DR: 2-[4-(2,5-Dimethylpyrrol-1-yl)phenoxy]acetic acid (CAS 313701-94-9) is a chemical compound with molecular formula C14H15NO3 and molecular weight 245.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]acetic acid
Also Known As: 2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]acetic acid, 2-(4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenoxy)acetic acid, [4-(2,5-dimethyl-1H-pyrrol-1-yl)phenoxy]acetic acid, BIM-0001419.P001, 2-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenoxy]Acetic acid
| Molecular Formula | C14H15NO3 |
|---|---|
| Molecular Weight | 245.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 51.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.1052 |
| Heavy Atoms | 18 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 313701-94-9 |
|---|---|
| SMILES | CC1=CC=C(N1C2=CC=C(C=C2)OCC(=O)O)C |
| InChIKey | VKHKAGOXFDDDIY-UHFFFAOYSA-N |
Product Overview
2-[4-(2,5-Dimethylpyrrol-1-yl)phenoxy]acetic acid (CAS 313701-94-9), with molecular formula C14H15NO3 and molecular weight 245.11 g/mol. IUPAC: 2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]acetic acid.
Chemical Property Profile of 2-[4-(2,5-Dimethylpyrrol-1-yl)phenoxy]acetic acid
Property Insights of 2-[4-(2,5-Dimethylpyrrol-1-yl)phenoxy]acetic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(2,5-Dimethylpyrrol-1-yl)phenoxy]acetic acid. With a topological polar surface area (TPSA) of 51.5 Ų, 2-[4-(2,5-Dimethylpyrrol-1-yl)phenoxy]acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(2,5-Dimethylpyrrol-1-yl)phenoxy]acetic 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-(2,5-Dimethylpyrrol-1-yl)phenoxy]acetic acid?
The CAS number of 2-[4-(2,5-Dimethylpyrrol-1-yl)phenoxy]acetic acid is 313701-94-9.
What is the molecular formula of 2-[4-(2,5-Dimethylpyrrol-1-yl)phenoxy]acetic acid?
The molecular formula of 2-[4-(2,5-Dimethylpyrrol-1-yl)phenoxy]acetic acid is C14H15NO3.
What is the molecular weight of 2-[4-(2,5-Dimethylpyrrol-1-yl)phenoxy]acetic acid?
The molecular weight of 2-[4-(2,5-Dimethylpyrrol-1-yl)phenoxy]acetic acid is 245.11 g/mol.
Where can I buy 2-[4-(2,5-Dimethylpyrrol-1-yl)phenoxy]acetic acid?
You can request a quote for 2-[4-(2,5-Dimethylpyrrol-1-yl)phenoxy]acetic 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-(2,5-Dimethylpyrrol-1-yl)phenoxy]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(2,5-Dimethylpyrrol-1-yl)phenoxy]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.