methyl 4-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
TL;DR: methyl 4-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate (CAS 312271-09-3) is a chemical compound with molecular formula C15H17NO3 and molecular weight 259.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
Also Known As: methyl 4-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate, J2.809.559G, A1116/0052435, 2,5-Dimethyl-4-(4-methoxyphenyl)-1H-pyrrole-3-carboxylic acid methyl ester, 4-(4-Methoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester
| Molecular Formula | C15H17NO3 |
|---|---|
| Molecular Weight | 259.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.12085 |
| Heavy Atoms | 19 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 312271-09-3 |
|---|---|
| SMILES | CC1=C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)OC |
| InChIKey | DONPEUZWLJHYNR-UHFFFAOYSA-N |
Product Overview
methyl 4-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate (CAS 312271-09-3), with molecular formula C15H17NO3 and molecular weight 259.12 g/mol. IUPAC: methyl 4-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of methyl 4-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
Property Insights of methyl 4-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
The XLogP value of 3.0 indicates that methyl 4-(4-methoxyphenyl)-2,5-dimethyl-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 51.3 Ų, methyl 4-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate has 1 hydrogen bond donor(s) and 3 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-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The CAS number of methyl 4-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate is 312271-09-3.
What is the molecular formula of methyl 4-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The molecular formula of methyl 4-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate is C15H17NO3.
What is the molecular weight of methyl 4-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The molecular weight of methyl 4-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate is 259.12 g/mol.
Where can I buy methyl 4-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate?
You can request a quote for methyl 4-(4-methoxyphenyl)-2,5-dimethyl-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 4-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.