Benzoic acid, 4-chloro-3-(2,5-dimethylpyrrol-1-yl)-
TL;DR: Benzoic acid, 4-chloro-3-(2,5-dimethylpyrrol-1-yl)- (CAS 3150-42-3) 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-3-(2,5-dimethylpyrrol-1-yl)benzoic acid
Also Known As: 4-chloro-3-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid, 4-chloro-3- benzoicacid, 4-Chloro-3-(2,5-dimethylpyrrol-1-yl)benzoic acid, Benzoic acid, 4-chloro-3-(2,5-dimethyl-1H-pyrrol-1-yl)-, Benzoic acid, 4-chloro-3-(2,5-dimethylpyrrol-1-yl)-
| 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 | 3150-42-3 |
|---|---|
| SMILES | CC1=CC=C(N1C2=C(C=CC(=C2)C(=O)O)Cl)C |
| InChIKey | RDTROARYSPBJMT-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-chloro-3-(2,5-dimethylpyrrol-1-yl)- (CAS 3150-42-3), with molecular formula C13H12ClNO2 and molecular weight 249.06 g/mol. IUPAC: 4-chloro-3-(2,5-dimethylpyrrol-1-yl)benzoic acid.
Chemical Property Profile of Benzoic acid, 4-chloro-3-(2,5-dimethylpyrrol-1-yl)-
Property Insights of Benzoic acid, 4-chloro-3-(2,5-dimethylpyrrol-1-yl)-
The XLogP value of 3.3 indicates that Benzoic acid, 4-chloro-3-(2,5-dimethylpyrrol-1-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.2 Ų, Benzoic acid, 4-chloro-3-(2,5-dimethylpyrrol-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-chloro-3-(2,5-dimethylpyrrol-1-yl)- 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 Benzoic acid, 4-chloro-3-(2,5-dimethylpyrrol-1-yl)-?
The CAS number of Benzoic acid, 4-chloro-3-(2,5-dimethylpyrrol-1-yl)- is 3150-42-3.
What is the molecular formula of Benzoic acid, 4-chloro-3-(2,5-dimethylpyrrol-1-yl)-?
The molecular formula of Benzoic acid, 4-chloro-3-(2,5-dimethylpyrrol-1-yl)- is C13H12ClNO2.
What is the molecular weight of Benzoic acid, 4-chloro-3-(2,5-dimethylpyrrol-1-yl)-?
The molecular weight of Benzoic acid, 4-chloro-3-(2,5-dimethylpyrrol-1-yl)- is 249.06 g/mol.
Where can I buy Benzoic acid, 4-chloro-3-(2,5-dimethylpyrrol-1-yl)-?
You can request a quote for Benzoic acid, 4-chloro-3-(2,5-dimethylpyrrol-1-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-chloro-3-(2,5-dimethylpyrrol-1-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-chloro-3-(2,5-dimethylpyrrol-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.