Methyl 2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate
TL;DR: Methyl 2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate (CAS 83935-44-8) 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 2-(2,5-dimethylpyrrol-1-yl)benzoate
Also Known As: Methyl 2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate, methyl 2-(2,5-dimethylpyrrol-1-yl)benzoate, Methyl 2-(2,5-dimethyl-1H-pyrrol-1-yl)-benzenecarboxylate, METHYL2- BENZENECARBOXYLATE, methyldimethylpyrrolylbenzenecarboxylate
| Molecular Formula | C14H15NO2 |
|---|---|
| Molecular Weight | 229.11 g/mol |
| LogP | 2.88074 |
| Topological Polar Surface Area | 31.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.11028 |
| Heavy Atoms | 17 |
| Complexity | 535.5999 |
Chemical Identifiers
| CAS Number | 83935-44-8 |
|---|---|
| SMILES | CC1=CC=C(N1C2=CC=CC=C2C(=O)OC)C |
Product Overview
Methyl 2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate (CAS 83935-44-8), with molecular formula C14H15NO2 and molecular weight 229.11 g/mol. IUPAC: methyl 2-(2,5-dimethylpyrrol-1-yl)benzoate.
Chemical Property Profile of Methyl 2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Property Insights of Methyl 2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate
The XLogP value of 2.88074 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate. With a topological polar surface area (TPSA) of 31.23 Ų, Methyl 2-(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 2-(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 2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
The CAS number of Methyl 2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate is 83935-44-8.
What is the molecular formula of Methyl 2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
The molecular formula of Methyl 2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate is C14H15NO2.
What is the molecular weight of Methyl 2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
The molecular weight of Methyl 2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate is 229.11 g/mol.
Where can I buy Methyl 2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
You can request a quote for Methyl 2-(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 2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.