Methyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate
TL;DR: Methyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate (CAS 26327-60-6) is a chemical compound with molecular formula C14H15NO2 and molecular weight 229.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate
Also Known As: methyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate, methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate, ASISCHEM N62064, BAS 00687698, benzoic acid, 4-(2,5-dimethyl-1H-pyrrol-1-yl)-, methyl ester
| Molecular Formula | C14H15NO2 |
|---|---|
| Molecular Weight | 229.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 31.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.11028 |
| Heavy Atoms | 17 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 26327-60-6 |
|---|---|
| SMILES | CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OC)C |
| InChIKey | FFRKCMKOLMHBCM-UHFFFAOYSA-N |
Product Overview
Methyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate (CAS 26327-60-6), with molecular formula C14H15NO2 and molecular weight 229.11 g/mol. IUPAC: methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate.
Chemical Property Profile of Methyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Property Insights of Methyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate
The XLogP value of 3.0 indicates that Methyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.2 Ų, Methyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate has 0 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 Methyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
The CAS number of Methyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate is 26327-60-6.
What is the molecular formula of Methyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
The molecular formula of Methyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate is C14H15NO2.
What is the molecular weight of Methyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
The molecular weight of Methyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate is 229.11 g/mol.
Where can I buy Methyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
You can request a quote for Methyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.