1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-1H-pyrrole
TL;DR: 1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-1H-pyrrole (CAS 5935-44-4) is a chemical compound with molecular formula C18H15NO2 and molecular weight 277.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenylpyrrole
Also Known As: BAS 13120238, BIM-0038195.P001, 1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-1H-pyrrole, 1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenylpyrrole, 1-Benzo[1,3]dioxol-5-yl-2-methyl-5-phenyl-1H-pyrrole
| Molecular Formula | C18H15NO2 |
|---|---|
| Molecular Weight | 277.11 g/mol |
| LogP | 4.18142 |
| Topological Polar Surface Area | 23.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.1103 |
| Heavy Atoms | 21 |
| Complexity | 790.233 |
Chemical Identifiers
| CAS Number | 5935-44-4 |
|---|---|
| SMILES | CC1=CC=C(N1C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4 |
Product Overview
1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-1H-pyrrole (CAS 5935-44-4), with molecular formula C18H15NO2 and molecular weight 277.11 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenylpyrrole.
Chemical Property Profile of 1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-1H-pyrrole
Property Insights of 1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-1H-pyrrole
The XLogP value of 4.18142 indicates that 1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-1H-pyrrole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.39 Ų, 1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-1H-pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-1H-pyrrole 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 1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-1H-pyrrole?
The CAS number of 1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-1H-pyrrole is 5935-44-4.
What is the molecular formula of 1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-1H-pyrrole?
The molecular formula of 1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-1H-pyrrole is C18H15NO2.
What is the molecular weight of 1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-1H-pyrrole?
The molecular weight of 1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-1H-pyrrole is 277.11 g/mol.
Where can I buy 1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-1H-pyrrole?
You can request a quote for 1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-1H-pyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-1H-pyrrole?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-1H-pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.