methyl 4-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
TL;DR: methyl 4-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate (CAS 95838-59-8) is a chemical compound with molecular formula C14H14ClNO2 and molecular weight 263.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
Also Known As: methyl 4-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate, AB01325689-02, 1H-Pyrrole-3-carboxylicacid,4- -2,5-dimethyl-,methylester, A1116/0052433, 1H-Pyrrole-3-carboxylic acid, 4-(4-chlorophenyl)-2,5-dimethyl-, methyl ester (9CI)
| Molecular Formula | C14H14ClNO2 |
|---|---|
| Molecular Weight | 263.07 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.07132 |
| Heavy Atoms | 18 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 95838-59-8 |
|---|---|
| SMILES | CC1=C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)Cl |
| InChIKey | RIXOLDACERCHQG-UHFFFAOYSA-N |
Product Overview
methyl 4-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate (CAS 95838-59-8), with molecular formula C14H14ClNO2 and molecular weight 263.07 g/mol. IUPAC: methyl 4-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of methyl 4-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
Property Insights of methyl 4-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
The XLogP value of 3.6 indicates that methyl 4-(4-chlorophenyl)-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 42.1 Ų, methyl 4-(4-chlorophenyl)-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-chlorophenyl)-2,5-dimethyl-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 4-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The CAS number of methyl 4-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate is 95838-59-8.
What is the molecular formula of methyl 4-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The molecular formula of methyl 4-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate is C14H14ClNO2.
What is the molecular weight of methyl 4-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The molecular weight of methyl 4-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate is 263.07 g/mol.
Where can I buy methyl 4-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate?
You can request a quote for methyl 4-(4-chlorophenyl)-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-chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.