4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoic acid
TL;DR: 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoic acid (CAS 409353-44-2) is a chemical compound with molecular formula C15H15NO3 and molecular weight 257.11 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)-3-methylbenzoic acid
Also Known As: methylbenzoic acid, 4-(3-Formyl-2, 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoic acid, 4-(3-Formyl-2,5-dimethyl-pyrrol-1-yl)-3-methyl-benzoic acid, SP552
| Molecular Formula | C15H15NO3 |
|---|---|
| Molecular Weight | 257.11 g/mol |
| LogP | 2.91326 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.1052 |
| Heavy Atoms | 19 |
| Complexity | 668.2705 |
Chemical Identifiers
| CAS Number | 409353-44-2 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=C(C=C(C=C2)C(=O)O)C)C)C=O |
Product Overview
4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoic acid (CAS 409353-44-2), with molecular formula C15H15NO3 and molecular weight 257.11 g/mol. IUPAC: 4-(3-formyl-2,5-dimethylpyrrol-1-yl)-3-methylbenzoic acid.
Chemical Property Profile of 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoic acid
Property Insights of 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoic acid
The XLogP value of 2.91326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoic acid. With a topological polar surface area (TPSA) of 59.3 Ų, 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoic 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)-3-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 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoic acid?
The CAS number of 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoic acid is 409353-44-2.
What is the molecular formula of 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoic acid?
The molecular formula of 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoic acid is C15H15NO3.
What is the molecular weight of 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoic acid?
The molecular weight of 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoic acid is 257.11 g/mol.
Where can I buy 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoic acid?
You can request a quote for 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoic 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)-3-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.