methyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoate
TL;DR: methyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoate (CAS 428848-38-8) is a chemical compound with molecular formula C15H17NO2 and molecular weight 243.13 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)-3-methylbenzoate
Also Known As: methyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoate, methyl 4-(2,5-dimethylpyrrol-1-yl)-3-methylbenzoate, methyl 4-(2,5-dimethylpyrrolyl)-3-methylbenzoate, AN-648/40769857
| Molecular Formula | C15H17NO2 |
|---|---|
| Molecular Weight | 243.13 g/mol |
| LogP | 3.18916 |
| Topological Polar Surface Area | 31.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.12593 |
| Heavy Atoms | 18 |
| Complexity | 577.0362 |
Chemical Identifiers
| CAS Number | 428848-38-8 |
|---|---|
| SMILES | CC1=CC=C(N1C2=C(C=C(C=C2)C(=O)OC)C)C |
Product Overview
methyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoate (CAS 428848-38-8), with molecular formula C15H17NO2 and molecular weight 243.13 g/mol. IUPAC: methyl 4-(2,5-dimethylpyrrol-1-yl)-3-methylbenzoate.
Chemical Property Profile of methyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoate
Property Insights of methyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoate
The XLogP value of 3.18916 indicates that methyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.23 Ų, methyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoate 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)-3-methylbenzoate 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)-3-methylbenzoate?
The CAS number of methyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoate is 428848-38-8.
What is the molecular formula of methyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoate?
The molecular formula of methyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoate is C15H17NO2.
What is the molecular weight of methyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoate?
The molecular weight of methyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoate is 243.13 g/mol.
Where can I buy methyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoate?
You can request a quote for methyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoate 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)-3-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.