4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
TL;DR: 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid (CAS 52034-38-5) is a chemical compound with molecular formula C14H13NO3 and molecular weight 243.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-formyl-2,5-dimethylpyrrol-1-yl)benzoic acid
Also Known As: 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid, ACID, 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzenecarboxylic acid, ASISCHEM R37728, 4-(3-formyl-2,5-dimethylpyrrol-1-yl)benzoic acid
| Molecular Formula | C14H13NO3 |
|---|---|
| Molecular Weight | 243.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.08954 |
| Heavy Atoms | 18 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 52034-38-5 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)C=O |
| InChIKey | GPYVXQQXXCPCGK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid (CAS 52034-38-5), with molecular formula C14H13NO3 and molecular weight 243.09 g/mol. IUPAC: 4-(3-formyl-2,5-dimethylpyrrol-1-yl)benzoic acid.
Chemical Property Profile of 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Property Insights of 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid. With a topological polar surface area (TPSA) of 59.3 Ų, 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic 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 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid?
The CAS number of 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid is 52034-38-5.
What is the molecular formula of 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid?
The molecular formula of 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid is C14H13NO3.
What is the molecular weight of 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid?
The molecular weight of 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid is 243.09 g/mol.
Where can I buy 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid?
You can request a quote for 4-(3-Formyl-2,5-dimethyl-1H-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-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.