methyl 2,5-dimethyl-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate
TL;DR: methyl 2,5-dimethyl-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate (CAS 312271-07-1) 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 2,5-dimethyl-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate
Also Known As: methyl 2,5-dimethyl-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate, J3.037.484C, 1H-Pyrrole-3-carboxylicacid,2,5-dimethyl-4- -,methylester, A1116/0052429, 1H-Pyrrole-3-carboxylicacid,2,5-dimethyl-4-(4-methylphenyl)-,methylester(9ci)
| Molecular Formula | C15H17NO2 |
|---|---|
| Molecular Weight | 243.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.12593 |
| Heavy Atoms | 18 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 312271-07-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=C(NC(=C2C(=O)OC)C)C |
| InChIKey | YPFVCLDHXMFUMX-UHFFFAOYSA-N |
Product Overview
methyl 2,5-dimethyl-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate (CAS 312271-07-1), with molecular formula C15H17NO2 and molecular weight 243.13 g/mol. IUPAC: methyl 2,5-dimethyl-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate.
Chemical Property Profile of methyl 2,5-dimethyl-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate
Property Insights of methyl 2,5-dimethyl-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate
The XLogP value of 3.4 indicates that methyl 2,5-dimethyl-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.1 Ų, methyl 2,5-dimethyl-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2,5-dimethyl-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate 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 methyl 2,5-dimethyl-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate?
The CAS number of methyl 2,5-dimethyl-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate is 312271-07-1.
What is the molecular formula of methyl 2,5-dimethyl-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate?
The molecular formula of methyl 2,5-dimethyl-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate is C15H17NO2.
What is the molecular weight of methyl 2,5-dimethyl-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate?
The molecular weight of methyl 2,5-dimethyl-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate is 243.13 g/mol.
Where can I buy methyl 2,5-dimethyl-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate?
You can request a quote for methyl 2,5-dimethyl-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2,5-dimethyl-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2,5-dimethyl-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.