3-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylbenzoic acid
TL;DR: 3-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylbenzoic acid (CAS 313701-78-9) is a chemical compound with molecular formula C14H15NO2 and molecular weight 229.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,5-dimethylpyrrol-1-yl)-4-methylbenzoic acid
Also Known As: 3-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylbenzoic acid, ChemDiv2_000530, 3-(2,5-dimethylpyrrol-1-yl)-4-methylbenzoic acid, BIM-0001233.P001, BB 0217843
| Molecular Formula | C14H15NO2 |
|---|---|
| Molecular Weight | 229.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.11028 |
| Heavy Atoms | 17 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 313701-78-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)N2C(=CC=C2C)C |
| InChIKey | ALKSDHRUSDCLSX-UHFFFAOYSA-N |
Product Overview
3-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylbenzoic acid (CAS 313701-78-9), with molecular formula C14H15NO2 and molecular weight 229.11 g/mol. IUPAC: 3-(2,5-dimethylpyrrol-1-yl)-4-methylbenzoic acid.
Chemical Property Profile of 3-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylbenzoic acid
Property Insights of 3-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylbenzoic acid
The XLogP value of 3.0 indicates that 3-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.2 Ų, 3-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylbenzoic acid has 1 hydrogen bond donor(s) and 2 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-1H-pyrrol-1-yl)-4-methylbenzoic acid?
The CAS number of 3-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylbenzoic acid is 313701-78-9.
What is the molecular formula of 3-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylbenzoic acid?
The molecular formula of 3-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylbenzoic acid is C14H15NO2.
What is the molecular weight of 3-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylbenzoic acid?
The molecular weight of 3-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylbenzoic acid is 229.11 g/mol.
Where can I buy 3-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylbenzoic acid?
You can request a quote for 3-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylbenzoic 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-1H-pyrrol-1-yl)-4-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.