4-Chloro-2-(2,5-dimethyl-pyrrol-1-yl)-benzoic acid
TL;DR: 4-Chloro-2-(2,5-dimethyl-pyrrol-1-yl)-benzoic acid (CAS 335209-41-1) is a chemical compound with molecular formula C13H12ClNO2 and molecular weight 249.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-(2,5-dimethylpyrrol-1-yl)benzoic acid
Also Known As: 4-Chloro-2-(2,5-dimethyl-pyrrol-1-yl)-benzoic acid, 4-chloro-2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid, 4-chloro-2-(2,5-dimethylpyrrol-1-yl)benzoic acid, BAS 02737670, BB 0217850
| Molecular Formula | C13H12ClNO2 |
|---|---|
| Molecular Weight | 249.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.05565 |
| Heavy Atoms | 17 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 335209-41-1 |
|---|---|
| SMILES | CC1=CC=C(N1C2=C(C=CC(=C2)Cl)C(=O)O)C |
| InChIKey | SMDDZIZWJYBWSI-UHFFFAOYSA-N |
Product Overview
4-Chloro-2-(2,5-dimethyl-pyrrol-1-yl)-benzoic acid (CAS 335209-41-1), with molecular formula C13H12ClNO2 and molecular weight 249.06 g/mol. IUPAC: 4-chloro-2-(2,5-dimethylpyrrol-1-yl)benzoic acid.
Chemical Property Profile of 4-Chloro-2-(2,5-dimethyl-pyrrol-1-yl)-benzoic acid
Property Insights of 4-Chloro-2-(2,5-dimethyl-pyrrol-1-yl)-benzoic acid
The XLogP value of 3.3 indicates that 4-Chloro-2-(2,5-dimethyl-pyrrol-1-yl)-benzoic 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, 4-Chloro-2-(2,5-dimethyl-pyrrol-1-yl)-benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-(2,5-dimethyl-pyrrol-1-yl)-benzoic 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 4-Chloro-2-(2,5-dimethyl-pyrrol-1-yl)-benzoic acid?
The CAS number of 4-Chloro-2-(2,5-dimethyl-pyrrol-1-yl)-benzoic acid is 335209-41-1.
What is the molecular formula of 4-Chloro-2-(2,5-dimethyl-pyrrol-1-yl)-benzoic acid?
The molecular formula of 4-Chloro-2-(2,5-dimethyl-pyrrol-1-yl)-benzoic acid is C13H12ClNO2.
What is the molecular weight of 4-Chloro-2-(2,5-dimethyl-pyrrol-1-yl)-benzoic acid?
The molecular weight of 4-Chloro-2-(2,5-dimethyl-pyrrol-1-yl)-benzoic acid is 249.06 g/mol.
Where can I buy 4-Chloro-2-(2,5-dimethyl-pyrrol-1-yl)-benzoic acid?
You can request a quote for 4-Chloro-2-(2,5-dimethyl-pyrrol-1-yl)-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-(2,5-dimethyl-pyrrol-1-yl)-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-(2,5-dimethyl-pyrrol-1-yl)-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.