methyl 2,5-dimethyl-4-(naphthalen-1-yl)-1H-pyrrole-3-carboxylate
TL;DR: methyl 2,5-dimethyl-4-(naphthalen-1-yl)-1H-pyrrole-3-carboxylate (CAS 95838-56-5) is a chemical compound with molecular formula C18H17NO2 and molecular weight 279.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,5-dimethyl-4-naphthalen-1-yl-1H-pyrrole-3-carboxylate
Also Known As: methyl 2,5-dimethyl-4-naphthylpyrrole-3-carboxylate, A1116/0052428, methyl 2,5-dimethyl-4-(naphthalen-1-yl)-1H-pyrrole-3-carboxylate, methyl 2,5-dimethyl-4-naphthalen-1-yl-1H-pyrrole-3-carboxylate, 1H-Pyrrole-3-carboxylic acid, 2,5-dimethyl-4-(1-naphthalenyl)-, methyl ester (9CI)
| Molecular Formula | C18H17NO2 |
|---|---|
| Molecular Weight | 279.13 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.12592 |
| Heavy Atoms | 21 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 95838-56-5 |
|---|---|
| SMILES | CC1=C(C(=C(N1)C)C(=O)OC)C2=CC=CC3=CC=CC=C32 |
| InChIKey | UIIBGPGLDYFPFU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
methyl 2,5-dimethyl-4-(naphthalen-1-yl)-1H-pyrrole-3-carboxylate (CAS 95838-56-5), with molecular formula C18H17NO2 and molecular weight 279.13 g/mol. IUPAC: methyl 2,5-dimethyl-4-naphthalen-1-yl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of methyl 2,5-dimethyl-4-(naphthalen-1-yl)-1H-pyrrole-3-carboxylate
Property Insights of methyl 2,5-dimethyl-4-(naphthalen-1-yl)-1H-pyrrole-3-carboxylate
The XLogP value of 4.2 indicates that methyl 2,5-dimethyl-4-(naphthalen-1-yl)-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-(naphthalen-1-yl)-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-(naphthalen-1-yl)-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-(naphthalen-1-yl)-1H-pyrrole-3-carboxylate?
The CAS number of methyl 2,5-dimethyl-4-(naphthalen-1-yl)-1H-pyrrole-3-carboxylate is 95838-56-5.
What is the molecular formula of methyl 2,5-dimethyl-4-(naphthalen-1-yl)-1H-pyrrole-3-carboxylate?
The molecular formula of methyl 2,5-dimethyl-4-(naphthalen-1-yl)-1H-pyrrole-3-carboxylate is C18H17NO2.
What is the molecular weight of methyl 2,5-dimethyl-4-(naphthalen-1-yl)-1H-pyrrole-3-carboxylate?
The molecular weight of methyl 2,5-dimethyl-4-(naphthalen-1-yl)-1H-pyrrole-3-carboxylate is 279.13 g/mol.
Where can I buy methyl 2,5-dimethyl-4-(naphthalen-1-yl)-1H-pyrrole-3-carboxylate?
You can request a quote for methyl 2,5-dimethyl-4-(naphthalen-1-yl)-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-(naphthalen-1-yl)-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2,5-dimethyl-4-(naphthalen-1-yl)-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.