3-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
TL;DR: 3-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid (CAS 409356-41-8) 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.
3-(3-formyl-2,5-dimethylpyrrol-1-yl)benzoic acid
Also Known As: 3-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid, ACID, 3-(3-Formyl-2,5-dimethyl-pyrrol-1-yl)-benzoic acid, benzamide-4-boronic acid, ASISCHEM R26696
| Molecular Formula | C14H13NO3 |
|---|---|
| Molecular Weight | 243.09 g/mol |
| LogP | 2.60484 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.08954 |
| Heavy Atoms | 18 |
| Complexity | 625.9645 |
Chemical Identifiers
| CAS Number | 409356-41-8 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)C=O |
Product Overview
3-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid (CAS 409356-41-8), with molecular formula C14H13NO3 and molecular weight 243.09 g/mol. IUPAC: 3-(3-formyl-2,5-dimethylpyrrol-1-yl)benzoic acid.
Chemical Property Profile of 3-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Property Insights of 3-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
The XLogP value of 2.60484 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid. With a topological polar surface area (TPSA) of 59.3 Ų, 3-(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, 3-(3-formyl-2,5-dimethyl-1H-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 3-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid?
The CAS number of 3-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid is 409356-41-8.
What is the molecular formula of 3-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid?
The molecular formula of 3-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid is C14H13NO3.
What is the molecular weight of 3-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid?
The molecular weight of 3-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid is 243.09 g/mol.
Where can I buy 3-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid?
You can request a quote for 3-(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 3-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(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.